200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1261825-82-4
1261825-82-4 | Benzonitrile, 2-(difluoromethyl)-4-fluoro-
CAS No: 1261825-82-4 Catalog No: AG000S23 MDL No:
Product Description
Catalog Number:
AG000S23
Chemical Name:
Benzonitrile, 2-(difluoromethyl)-4-fluoro-
CAS Number:
1261825-82-4
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
IUPAC Name:
2-(difluoromethyl)-4-fluorobenzonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-2-1-5(4-12)7(3-6)8(10)11/h1-3,8H
InChI Key:
QAOHEQPFDASMOT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.