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101905-71-9 | Benzoic acid, 2-(dimethylamino)-5-nitro-, methyl ester
CAS No: 101905-71-9 Catalog No: AG0005WN MDL No:
Product Description
Catalog Number:
AG0005WN
Chemical Name:
Benzoic acid, 2-(dimethylamino)-5-nitro-, methyl ester
CAS Number:
101905-71-9
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
methyl 2-(dimethylamino)-5-nitrobenzoate
InChI:
InChI=1S/C10H12N2O4/c1-11(2)9-5-4-7(12(14)15)6-8(9)10(13)16-3/h4-6H,1-3H3
InChI Key:
IRKCYPMJNYIJOB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1N(C)C)[N+](=O)[O-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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