200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1000556-48-8
1000556-48-8 | Benzeneacetonitrile, 2-(difluoromethyl)-
CAS No: 1000556-48-8 Catalog No: AG0000QE MDL No:
Product Description
Catalog Number:
AG0000QE
Chemical Name:
Benzeneacetonitrile, 2-(difluoromethyl)-
CAS Number:
1000556-48-8
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
IUPAC Name:
2-[2-(difluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H7F2N/c10-9(11)8-4-2-1-3-7(8)5-6-12/h1-4,9H,5H2
InChI Key:
BZPZUXSCXCFTBO-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C(F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.159g/mol
Monoisotopic Mass:
167.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.