Home Nitriles 4-Bromo-3-methylbenzonitrile

4-Bromo-3-methylbenzonitrile

CAS No.:
41963-20-6
Catalog Number:
AG003KYE
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$32
- +
25g
97%
In Stock USA
United States
$82
- +
100g
97%
In Stock USA
United States
$232
- +
Product Description
Catalog Number:
AG003KYE
Chemical Name:
4-Bromo-3-methylbenzonitrile
CAS Number:
41963-20-6
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00031538
IUPAC Name:
4-bromo-3-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key:
SKXUZFJOLNNWIG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)Br
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:
3.3  
Properties