Home Nitriles 2-Bromo-5-methylbenzonitrile

2-Bromo-5-methylbenzonitrile

CAS No.:
42872-83-3
Catalog Number:
AG003GQ4
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$63
- +
10g
98%
In Stock USA
United States
$107
- +
25g
98%
In Stock USA
United States
$200
- +
100g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003GQ4
Chemical Name:
2-Bromo-5-methylbenzonitrile
CAS Number:
42872-83-3
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD11040281
IUPAC Name:
2-bromo-5-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChI Key:
AKCXJAVATJLYQM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1Br
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