200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 834898-27-0
834898-27-0 | 1,2-Benzenedicarbonitrile, 4-[[4-(trifluoromethyl)phenyl]methoxy]-
CAS No: 834898-27-0 Catalog No: AG0050N7 MDL No:
Product Description
Catalog Number:
AG0050N7
Chemical Name:
1,2-Benzenedicarbonitrile, 4-[[4-(trifluoromethyl)phenyl]methoxy]-
CAS Number:
834898-27-0
Molecular Formula:
C16H9F3N2O
Molecular Weight:
302.2507
IUPAC Name:
4-[[4-(trifluoromethyl)phenyl]methoxy]benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H9F3N2O/c17-16(18,19)14-4-1-11(2-5-14)10-22-15-6-3-12(8-20)13(7-15)9-21/h1-7H,10H2
InChI Key:
APNRHRKJDIQRFF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C#N)OCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.256g/mol
Monoisotopic Mass:
302.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.