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Home > Nitro Compounds > 58259-34-0
58259-34-0 | N-Butyl-4-nitroaniline
CAS No: 58259-34-0 Catalog No: AG003SV3 MDL No:MFCD00024635
Product Description
Catalog Number:
AG003SV3
Chemical Name:
N-Butyl-4-nitroaniline
CAS Number:
58259-34-0
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD00024635
IUPAC Name:
N-butyl-4-nitroaniline
InChI:
InChI=1S/C10H14N2O2/c1-2-3-8-11-9-4-6-10(7-5-9)12(13)14/h4-7,11H,2-3,8H2,1H3
InChI Key:
KCTYPOBEIDJYGF-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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