Home Nitriles 2-Bromo-3-methylbenzonitrile

2-Bromo-3-methylbenzonitrile

CAS No.:
263159-64-4
Catalog Number:
AG002SPB
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$457
- +
100g
98%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG002SPB
Chemical Name:
2-Bromo-3-methylbenzonitrile
CAS Number:
263159-64-4
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD09025664
IUPAC Name:
2-bromo-3-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI Key:
RNHZLKDKPMISMY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.968g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.047g/mol
Monoisotopic Mass:
194.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties