Molecule

ID:108912

General Information
Structure
MolImage
Molecular Formula
C₄H₈BrCl
Molecular Mass
171.46332
Exact Mass
169.94978994
Charge
0
InChI
InChI=1S/C4H8BrCl/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey
ZHTDTJPDPPKLTG-UHFFFAOYSA-N
Canonic Smiles
CC(CCBr)Cl
Isomeric Smiles
CC(Cl)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1625347
LogD (pH = 7.4)
2.1625347
Log P
2.1625347
Molar Refractivity
32.9233
Polarizability
12.8032
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Academic Data
PubChem
22644751
Commercial Catalog
MP Biomedicals
05209214
Names and Identifiers
Synonyms
1-BROMO-3-CHLOROBUTANE
IUPAC name
1-bromo-3-chlorobutane
IUPAC Traditional name
1-bromo-3-chlorobutane
Registration numbers
PubChem CID
22644751
PubChem SID
162106220
Properties
Product Information
Certificate of Analysis
Safety Information
MSDS Link
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Navigation