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2-Chlorobenzyl chloride

CAT: 0926-FC139220Size: 2000 gDry Ice: NoHazardous: No
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CAT#:0926-FC139220Size:2000 g
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CAS Number
611-19-8
MDL Number
MFCD00000893
Smiles
C1=CC=C (C (=C1) CCl) Cl
Molecular Formula
C7H6Cl2
Molecular Weight
161.03 g/mol
Controlled
No

Chemical Information

2-Chlorobenzyl chloride

inhibits growth of Saccharomyces cerevisiae & lowers the contents of fatty acids & sterols

CAS Number611-19-8
PubChem CID11906
IUPAC Name1-chloro-2-(chloromethyl)benzene
Molecular FormulaC7H6Cl2
Molecular Weight161.03
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
C1=CC=C(C(=C1)CCl)Cl
InChI
InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey
BASMANVIUSSIIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorobenzyl chloride
CAS: 611-19-8
CID: 11906
Formula: C7H6Cl2
MW: 161.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight161.03
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass159.9846556
Monoisotopic Mass159.9846556
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes