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101414-54-4 | Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester (9CI)
CAS No: 101414-54-4 Catalog No: AG0004FA MDL No:
Product Description
Catalog Number:
AG0004FA
Chemical Name:
Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester (9CI)
CAS Number:
101414-54-4
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
IUPAC Name:
ethyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate
InChI:
InChI=1S/C15H14N2O3S/c1-2-20-15(12-6-4-3-5-7-12)16-21-14-10-8-13(9-11-14)17(18)19/h3-11H,2H2,1H3
InChI Key:
DRNJYOGZDSCDJH-UHFFFAOYSA-N
SMILES:
CCOC(=NSc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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