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101414-55-5 | Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester (9CI)
CAS No: 101414-55-5 Catalog No: AG0004F9 MDL No:
Product Description
Catalog Number:
AG0004F9
Chemical Name:
Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester (9CI)
CAS Number:
101414-55-5
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
methyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate
InChI:
InChI=1S/C14H12N2O3S/c1-19-14(11-5-3-2-4-6-11)15-20-13-9-7-12(8-10-13)16(17)18/h2-10H,1H3
InChI Key:
FMYWSIKFECHZDS-UHFFFAOYSA-N
SMILES:
COC(=NSc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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