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141055-18-7 | Benzeneacetic acid, 4-(formylamino)-, (4-nitrophenyl)methyl ester
CAS No: 141055-18-7 Catalog No: AG001FTA MDL No:
Product Description
Catalog Number:
AG001FTA
Chemical Name:
Benzeneacetic acid, 4-(formylamino)-, (4-nitrophenyl)methyl ester
CAS Number:
141055-18-7
Molecular Formula:
C16H14N2O5
Molecular Weight:
314.2928
IUPAC Name:
(4-nitrophenyl)methyl 2-(4-formamidophenyl)acetate
InChI:
InChI=1S/C16H14N2O5/c19-11-17-14-5-1-12(2-6-14)9-16(20)23-10-13-3-7-15(8-4-13)18(21)22/h1-8,11H,9-10H2,(H,17,19)
InChI Key:
ZJHHVBQLGHRWIC-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
407
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:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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