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139495-69-5 | Benzenamine, N-cyclopropyl-4-fluoro-5-(4-methyl-1-piperazinyl)-2-nitro-
CAS No: 139495-69-5 Catalog No: AG001B4H MDL No:
Product Description
Catalog Number:
AG001B4H
Chemical Name:
Benzenamine, N-cyclopropyl-4-fluoro-5-(4-methyl-1-piperazinyl)-2-nitro-
CAS Number:
139495-69-5
Molecular Formula:
C14H19FN4O2
Molecular Weight:
294.3247
IUPAC Name:
N-cyclopropyl-4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
InChI:
InChI=1S/C14H19FN4O2/c1-17-4-6-18(7-5-17)13-9-12(16-10-2-3-10)14(19(20)21)8-11(13)15/h8-10,16H,2-7H2,1H3
InChI Key:
XJVCWSAVFDJKFE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cc(NC2CC2)c(cc1F)[N+](=O)[O-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.33g/mol
Monoisotopic Mass:
294.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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