200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 893734-87-7
893734-87-7 | 3-[3-(Trifluoromethyl)phenyl]benzonitrile
CAS No: 893734-87-7 Catalog No: AG003YUW MDL No:MFCD05980398
Product Description
Catalog Number:
AG003YUW
Chemical Name:
3-[3-(Trifluoromethyl)phenyl]benzonitrile
CAS Number:
893734-87-7
Molecular Formula:
C14H8F3N
Molecular Weight:
247.2152
MDL Number:
MFCD05980398
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H8F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H
InChI Key:
MSTIXQZVGRDESK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.22g/mol
Monoisotopic Mass:
247.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.