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89232-26-8 | Benzoic acid, 2-[(ethoxycarbonyl)amino]-, 4-nitrophenyl ester
CAS No: 89232-26-8 Catalog No: AG0044GD MDL No:
Product Description
Catalog Number:
AG0044GD
Chemical Name:
Benzoic acid, 2-[(ethoxycarbonyl)amino]-, 4-nitrophenyl ester
CAS Number:
89232-26-8
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
(4-nitrophenyl) 2-(ethoxycarbonylamino)benzoate
InChI:
InChI=1S/C16H14N2O6/c1-2-23-16(20)17-14-6-4-3-5-13(14)15(19)24-12-9-7-11(8-10-12)18(21)22/h3-10H,2H2,1H3,(H,17,20)
InChI Key:
UDQFXJGMEPMNAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccccc1C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
456
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:
3.7
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