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2-(Bromomethyl)benzenamine Hydrobromide

CAT: 0572-TRC-B847350-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B847350-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107563-00-8
Hazard Statement
No Data Available
Smiles
Br.Nc1ccccc1CBr
Molecular Formula
C7 H8 Br N . HBr
Molecular Weight
266.961
InChI
InChI=1S/C7H8BrN.BrH/c8-5-6-3-1-2-4-7(6)9;/h1-4H,5,9H2;1H
Additionnal Information
IUPAC name: 2-(bromomethyl)aniline;hydrobromide
Shipping Conditions
Room Temperature

Chemical Information

2-(Bromomethyl)benzenamine Hydrobromide
CAS Number107563-00-8
PubChem CID21666230
IUPAC Name2-(bromomethyl)aniline;hydrobromide
Molecular FormulaC7H9Br2N
Molecular Weight266.96
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity85
SMILES
C1=CC=C(C(=C1)CBr)N.Br
InChI
InChI=1S/C7H8BrN.BrH/c8-5-6-3-1-2-4-7(6)9;/h1-4H,5,9H2;1H
InChIKey
DRNPHWUHSCIHST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Bromomethyl)benzenamine Hydrobromide
CAS: 107563-00-8
CID: 21666230
Formula: C7H9Br2N
MW: 266.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass266.90813
Monoisotopic Mass264.91017
Topological Polar Surface Area26 Ų
Heavy Atom Count10
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 Count2
Compound Is CanonicalizedYes

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