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Molecule
ID:63376
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄H₄Cl₂N₂
Molecular Mass
150.99396
Exact Mass
149.9751535
Charge
0
InChI
InChI=1S/C4H3ClN2.ClH/c5-4-1-2-6-3-7-4;/h1-3H;1H
InChIKey
HBZJVDNETONGIS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccncn1.Cl
Isomeric Smiles
Cl.Clc1ccncn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.87391835
LogD (pH = 7.4)
0.8739568
Log P
0.87395734
Molar Refractivity
28.5884
Polarizability
10.515882
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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From Data Sources
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Data Source
Academic Data
PubChem
21922556
Commercial Catalog
Matrix Scientific
068694
Names and Identifiers
Synonyms
4-Chloropyrimidine hydrochloride
IUPAC Traditional name
pyrimidine, 4-chloro- hydrochloride
IUPAC name
4-chloropyrimidine hydrochloride
Registration numbers
MDL Number
MFCD11870807
CAS Number
179051-78-6
PubChem CID
21922556
PubChem SID
162029115
Properties
Product Information
Purity
>95%
Source
Safety Information
Storage Warning
IRRITANT
Source
MSDS Link
Download link
Source
TSCA Listed
false
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay