Home Nitriles 4-Bromo-3-methoxybenzonitrile

4-Bromo-3-methoxybenzonitrile

CAS No.:
120315-65-3
Catalog Number:
AG00815R
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$74
- +
10g
98%
In Stock USA
United States
$123
- +
25g
98%
In Stock USA
United States
$245
- +
100g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00815R
Chemical Name:
4-Bromo-3-methoxybenzonitrile
CAS Number:
120315-65-3
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09753723
IUPAC Name:
4-bromo-3-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChI Key:
TWBFZKKJFREYES-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties