200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261742-22-6
1261742-22-6 | Benzonitrile, 2-(chloromethyl)-4-fluoro-
CAS No: 1261742-22-6 Catalog No: AG000RYS MDL No:
Product Description
Catalog Number:
AG000RYS
Chemical Name:
Benzonitrile, 2-(chloromethyl)-4-fluoro-
CAS Number:
1261742-22-6
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
IUPAC Name:
2-(chloromethyl)-4-fluorobenzonitrile
InChI:
InChI=1S/C8H5ClFN/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2
InChI Key:
AZFKXOFHBHPDAL-UHFFFAOYSA-N
SMILES:
ClCc1cc(F)ccc1C#N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.