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Home > Nitro Compounds > 1000018-71-2
1000018-71-2 | Benzoic acid, 4-(4-methyl-1-piperazinyl)-3-nitro-, ethyl ester
CAS No: 1000018-71-2 Catalog No: AG00008U MDL No:MFCD09064902
Product Description
Catalog Number:
AG00008U
Chemical Name:
Benzoic acid, 4-(4-methyl-1-piperazinyl)-3-nitro-, ethyl ester
CAS Number:
1000018-71-2
Molecular Formula:
C14H19N3O4
Molecular Weight:
293.3184
MDL Number:
MFCD09064902
IUPAC Name:
ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate
InChI:
InChI=1S/C14H19N3O4/c1-3-21-14(18)11-4-5-12(13(10-11)17(19)20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChI Key:
SHIZECNQEQRLRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.323g/mol
Monoisotopic Mass:
293.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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