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Home > Nitro Compounds > 98326-78-4
98326-78-4 | N-Butyl-3-nitroaniline
CAS No: 98326-78-4 Catalog No: AG01FFKF MDL No:
Product Description
Catalog Number:
AG01FFKF
Chemical Name:
N-Butyl-3-nitroaniline
CAS Number:
98326-78-4
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
N-butyl-3-nitroaniline
InChI:
InChI=1S/C10H14N2O2/c1-2-3-7-11-9-5-4-6-10(8-9)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChI Key:
ZVSJFPOKRSIYSH-UHFFFAOYSA-N
SMILES:
CCCCNc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
180
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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