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Home > Nitro Compounds > 331962-87-9
331962-87-9 | 2-[(3-Nitro-phenylcarbamoyl)-methoxy]-benzoic acid methyl ester
CAS No: 331962-87-9 Catalog No: AG01EUZX MDL No:
Product Description
Catalog Number:
AG01EUZX
Chemical Name:
2-[(3-Nitro-phenylcarbamoyl)-methoxy]-benzoic acid methyl ester
CAS Number:
331962-87-9
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
methyl 2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
InChI:
InChI=1S/C16H14N2O6/c1-23-16(20)13-7-2-3-8-14(13)24-10-15(19)17-11-5-4-6-12(9-11)18(21)22/h2-9H,10H2,1H3,(H,17,19)
InChI Key:
ZOSBJPLWYHRJDB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.296g/mol
Monoisotopic Mass:
330.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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