Home Nitriles 4-Bromo-3,5-dimethylbenzonitrile

4-Bromo-3,5-dimethylbenzonitrile

CAS No.:
75344-77-3
Catalog Number:
AG003KXT
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$80
- +
25g
95%
In Stock USA
United States
$305
- +
Product Description
Catalog Number:
AG003KXT
Chemical Name:
4-Bromo-3,5-dimethylbenzonitrile
CAS Number:
75344-77-3
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD07369910
IUPAC Name:
4-bromo-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H8BrN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3
InChI Key:
AVXHSMPHQGFXRG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties