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Home > Nitro Compounds > 1158272-89-9
1158272-89-9 | Ethyl N-(2-cyano-4-nitrophenyl)glycinate
CAS No: 1158272-89-9 Catalog No: AG00HD2L MDL No:MFCD12198094
Product Description
Catalog Number:
AG00HD2L
Chemical Name:
Ethyl N-(2-cyano-4-nitrophenyl)glycinate
CAS Number:
1158272-89-9
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
MDL Number:
MFCD12198094
IUPAC Name:
ethyl 2-(2-cyano-4-nitroanilino)acetate
InChI:
InChI=1S/C11H11N3O4/c1-2-18-11(15)7-13-10-4-3-9(14(16)17)5-8(10)6-12/h3-5,13H,2,7H2,1H3
InChI Key:
WKOJEFDHGOMHKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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