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88640-80-6 | Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester
CAS No: 88640-80-6 Catalog No: AG004A9M MDL No:
Product Description
Catalog Number:
AG004A9M
Chemical Name:
Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester
CAS Number:
88640-80-6
Molecular Formula:
C16H14N2O5
Molecular Weight:
314.2928
IUPAC Name:
ethyl 4-[(3-nitrobenzoyl)amino]benzoate
InChI:
InChI=1S/C16H14N2O5/c1-2-23-16(20)11-6-8-13(9-7-11)17-15(19)12-4-3-5-14(10-12)18(21)22/h3-10H,2H2,1H3,(H,17,19)
InChI Key:
GFIJIYJLXHWXCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.297g/mol
Monoisotopic Mass:
314.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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