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86611-44-1 | Benzoic acid, 2-[[2-(methoxycarbonyl)phenyl]amino]-4-nitro-
CAS No: 86611-44-1 Catalog No: AG004L0H MDL No:
Product Description
Catalog Number:
AG004L0H
Chemical Name:
Benzoic acid, 2-[[2-(methoxycarbonyl)phenyl]amino]-4-nitro-
CAS Number:
86611-44-1
Molecular Formula:
C15H12N2O6
Molecular Weight:
316.2656
IUPAC Name:
2-(2-methoxycarbonylanilino)-4-nitrobenzoic acid
InChI:
InChI=1S/C15H12N2O6/c1-23-15(20)11-4-2-3-5-12(11)16-13-8-9(17(21)22)6-7-10(13)14(18)19/h2-8,16H,1H3,(H,18,19)
InChI Key:
MEDOOXMPJWCZAU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1Nc1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.269g/mol
Monoisotopic Mass:
316.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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