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1257095-46-7 | Benzenecarbothioamide, N-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS No: 1257095-46-7 Catalog No: AG000OIK MDL No:
Product Description
Catalog Number:
AG000OIK
Chemical Name:
Benzenecarbothioamide, N-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS Number:
1257095-46-7
Molecular Formula:
C14H9F3N2O2S
Molecular Weight:
326.2937
IUPAC Name:
N-(4-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C14H9F3N2O2S/c15-14(16,17)10-3-1-9(2-4-10)13(22)18-11-5-7-12(8-6-11)19(20)21/h1-8H,(H,18,22)
InChI Key:
CJHQGNWADYISTI-UHFFFAOYSA-N
SMILES:
S=C(c1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.293g/mol
Monoisotopic Mass:
326.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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