200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 13726-21-1

13726-21-1

13726-21-1 | Benzeneacetonitrile, 4-chloro-3-methoxy-

CAS No: 13726-21-1 Catalog No: AG00130M MDL No:MFCD09907926

Product Description

Catalog Number:
AG00130M
Chemical Name:
Benzeneacetonitrile, 4-chloro-3-methoxy-
CAS Number:
13726-21-1
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD09907926
IUPAC Name:
2-(4-chloro-3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8ClNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
XOSGKJSNVLAMGY-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)Cl

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

© 2019 Angene International Limited. All rights Reserved.