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Molecule
ID:88430
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₅Cl
Molecular Mass
76.5248
Exact Mass
76.00797784
Charge
0
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3
InChIKey
OWXJKYNZGFSVRC-UHFFFAOYSA-N
Canonic Smiles
C/C=C/Cl
Isomeric Smiles
Cl/C=C/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8106414
LogD (pH = 7.4)
1.8106414
Log P
1.8106414
Molar Refractivity
20.4509
Polarizability
7.8407006
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
Calculated Properties
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RDKit
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Names and Identifiers
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Synonyms
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IUPAC Traditional name
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IUPAC name
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CAS Number
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MDL Number
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PubChem CID
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PubChem SID
Properties
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Physical Property
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Product Information
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Molecular Spectra
Molecule Details
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Apollo Scientific
References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR6595
OR40493
OR4546
MP Biomedicals
05210239
Academic Data
PubChem
5284364
Names and Identifiers
Synonyms
(1E)-1-Chloroprop-1-ene
trans-1-Chloropropene
1-Chloroprop-1-ene 97%
(1Z)-1-Chloropropene
1-CHLORO PROPENE-1
IUPAC Traditional name
1-chloropropene
IUPAC name
1-chloroprop-1-ene
Registration numbers
CAS Number
590-21-6
16136-84-8
16136-85-9
MDL Number
MFCD00039358
MFCD00062943
PubChem CID
5284364
PubChem SID
162075388
Molecule Details
Apollo Scientific
OR40493
Mixture of E/Z isomers
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Physical Property
Density
0.92
Source
0.94
Source
Boiling Point
38°C
Source
38-39°C
Source
Flash Point
-4°C
Source
Safety Information
Storage Warning
Highly Flammable/Harmful/Irritant/Keep Cold
Source
Flammable/Toxic
Source
Download link
Source
Product Information
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Source
MSDS Link
Certificate of Analysis