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

(4-Bromo-2-methoxyphenyl)acetonitrile

CAS No.:
858523-37-2
Catalog Number:
AG004NIM
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$40
- +
5g
98%
In Stock USA
United States
$160
- +
10g
98%
In Stock USA
United States
$292
- +
25g
98%
In Stock USA
United States
$560
- +
Product Description
Catalog Number:
AG004NIM
Chemical Name:
(4-Bromo-2-methoxyphenyl)acetonitrile
CAS Number:
858523-37-2
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD11847504
IUPAC Name:
2-(4-bromo-2-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
MKTBTBUHEXXTRR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1OC)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:
2.2  
Properties