Home Nitriles 2-(4-Bromo-3-methoxyphenyl)acetonitrile

2-(4-Bromo-3-methoxyphenyl)acetonitrile

CAS No.:
113081-50-8
Catalog Number:
AG009LVD
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009LVD
Chemical Name:
2-(4-Bromo-3-methoxyphenyl)acetonitrile
CAS Number:
113081-50-8
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD06797367
IUPAC Name:
2-(4-bromo-3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
AITZSRHOUYDLOM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)Br
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties