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3-Chlorobenzyl bromide

CAT: 0572-TRC-C427620-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C427620-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
766-80-3
Hazard Statement
No Data Available
Smiles
Clc1cccc(CBr)c1
Molecular Formula
C7 H6 Br Cl
Molecular Weight
205.48
InChI
InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
Additionnal Information
IUPAC name: 1-(bromomethyl)-3-chlorobenzene
Shipping Conditions
Room Temperature

Chemical Information

1-(Bromomethyl)-3-chlorobenzene
CAS Number766-80-3
PubChem CID69838
IUPAC Name1-(bromomethyl)-3-chlorobenzene
Molecular FormulaC7H6BrCl
Molecular Weight205.48
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
C1=CC(=CC(=C1)Cl)CBr
InChI
InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
LZIYAIRGDHSVED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Bromomethyl)-3-chlorobenzene
CAS: 766-80-3
CID: 69838
Formula: C7H6BrCl
MW: 205.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.48
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass203.93414
Monoisotopic Mass203.93414
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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

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