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4-Bromo-N-methylaniline

CAT: 0572-TRC-B683720-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B683720-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6911-87-1
Synonyms
4-Bromo-N-methylbenzenamine; N-Methyl-4-bromoaniline; N-Methyl-p-bromoaniline;
Hazard Statement
No Data Available
Smiles
BrC1=CC=C(NC)C=C1
Molecular Formula
C7H8BrN
Molecular Weight
186.05
InChI
InChI=1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
Additionnal Information
IUPAC name: 4-bromo-N-methylaniline
Shipping Conditions
Room Temperature

Chemical Information

Benzenamine, 4-bromo-N-methyl-
CAS Number6911-87-1
PubChem CID2757052
IUPAC Name4-bromo-N-methylaniline
Molecular FormulaC7H8BrN
Molecular Weight186.05
XLogP2.9
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity77
SMILES
CNC1=CC=C(C=C1)Br
InChI
InChI=1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
AYVPVDWQZAAZCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 4-bromo-N-methyl-
CAS: 6911-87-1
CID: 2757052
Formula: C7H8BrN
MW: 186.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.05
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass184.98401
Monoisotopic Mass184.98401
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity77
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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