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14156-55-9 | Benzenecarboximidothioic acid, N-(4-nitrophenyl)-, phenyl ester
CAS No: 14156-55-9 Catalog No: AG001GLQ MDL No:
Product Description
Catalog Number:
AG001GLQ
Chemical Name:
Benzenecarboximidothioic acid, N-(4-nitrophenyl)-, phenyl ester
CAS Number:
14156-55-9
Molecular Formula:
C19H14N2O2S
Molecular Weight:
334.3917
IUPAC Name:
phenyl N-(4-nitrophenyl)benzenecarboximidothioate
InChI:
InChI=1S/C19H14N2O2S/c22-21(23)17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)24-18-9-5-2-6-10-18/h1-14H
InChI Key:
NBSJJJMLUDDMTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=C(c1ccccc1)Sc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.393g/mol
Monoisotopic Mass:
334.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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