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126991-25-1 | Acetic acid, 2-[(2-methyl-6-nitrophenyl)amino]-2-oxo-, ethyl ester
CAS No: 126991-25-1 Catalog No: AG000WI4 MDL No:MFCD14281857
Product Description
Catalog Number:
AG000WI4
Chemical Name:
Acetic acid, 2-[(2-methyl-6-nitrophenyl)amino]-2-oxo-, ethyl ester
CAS Number:
126991-25-1
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD14281857
IUPAC Name:
ethyl 2-(2-methyl-6-nitroanilino)-2-oxoacetate
InChI:
InChI=1S/C11H12N2O5/c1-3-18-11(15)10(14)12-9-7(2)5-4-6-8(9)13(16)17/h4-6H,3H2,1-2H3,(H,12,14)
InChI Key:
IGTAQWQSTWWBIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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