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Home > Nitro Compounds > 1156940-12-3
1156940-12-3 | Benzoic acid, 2,4-dimethyl-5-nitro-, ethyl ester
CAS No: 1156940-12-3 Catalog No: AG000GQZ MDL No:
Product Description
Catalog Number:
AG000GQZ
Chemical Name:
Benzoic acid, 2,4-dimethyl-5-nitro-, ethyl ester
CAS Number:
1156940-12-3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
ethyl 2,4-dimethyl-5-nitrobenzoate
InChI:
InChI=1S/C11H13NO4/c1-4-16-11(13)9-6-10(12(14)15)8(3)5-7(9)2/h5-6H,4H2,1-3H3
InChI Key:
FVZPBIWSZFFVPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([N+](=O)[O-])c(cc1C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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