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Home > Fluorides > 1257095-76-3
1257095-76-3 | Benzenecarbothioamide, N-(4-fluoro-3-nitrophenyl)-4-(trifluoromethyl)-
CAS No: 1257095-76-3 Catalog No: AG000OIF MDL No:
Product Description
Catalog Number:
AG000OIF
Chemical Name:
Benzenecarbothioamide, N-(4-fluoro-3-nitrophenyl)-4-(trifluoromethyl)-
CAS Number:
1257095-76-3
Molecular Formula:
C14H8F4N2O2S
Molecular Weight:
344.2841
IUPAC Name:
N-(4-fluoro-3-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C14H8F4N2O2S/c15-11-6-5-10(7-12(11)20(21)22)19-13(23)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,23)
InChI Key:
NCNYCESSFLPNOH-UHFFFAOYSA-N
SMILES:
S=C(c1ccc(cc1)C(F)(F)F)Nc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.024g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.284g/mol
Monoisotopic Mass:
344.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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