200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 832741-30-7
832741-30-7 | 4-(4-Fluoro-phenyl)-2-thioxo-6-trifluoromethyl-2,3-dihydro-pyridine-3-carbonitrile
CAS No: 832741-30-7 Catalog No: AG01EXLC MDL No:
Product Description
Catalog Number:
AG01EXLC
Chemical Name:
4-(4-Fluoro-phenyl)-2-thioxo-6-trifluoromethyl-2,3-dihydro-pyridine-3-carbonitrile
CAS Number:
832741-30-7
Molecular Formula:
C13H6F4N2S
Molecular Weight:
298.2588
IUPAC Name:
4-(4-fluorophenyl)-2-sulfanylidene-6-(trifluoromethyl)-3H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H6F4N2S/c14-8-3-1-7(2-4-8)9-5-11(13(15,16)17)19-12(20)10(9)6-18/h1-5,10H
InChI Key:
ZLLVXEGUAAGAPD-UHFFFAOYSA-N
SMILES:
N#CC1C(=S)N=C(C=C1c1ccc(cc1)F)C(F)(F)F
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.259g/mol
Monoisotopic Mass:
298.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
© 2019 Angene International Limited. All rights Reserved.