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Home > Nitro Compounds > 1081513-23-6
1081513-23-6 | N-[4-(Ethoxycarbonyl)-2-nitrophenyl]glycine
CAS No: 1081513-23-6 Catalog No: AG00HB2U MDL No:MFCD22385530
Product Description
Catalog Number:
AG00HB2U
Chemical Name:
N-[4-(Ethoxycarbonyl)-2-nitrophenyl]glycine
CAS Number:
1081513-23-6
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
MDL Number:
MFCD22385530
IUPAC Name:
2-(4-ethoxycarbonyl-2-nitroanilino)acetic acid
InChI:
InChI=1S/C11H12N2O6/c1-2-19-11(16)7-3-4-8(12-6-10(14)15)9(5-7)13(17)18/h3-5,12H,2,6H2,1H3,(H,14,15)
InChI Key:
IOJCFTJBMNJGLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC(=O)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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