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10112-15-9 | Benzenamine, N-ethyl-2-nitro-
CAS No: 10112-15-9 Catalog No: AG0003SE MDL No:MFCD00007091
Product Description
Catalog Number:
AG0003SE
Chemical Name:
Benzenamine, N-ethyl-2-nitro-
CAS Number:
10112-15-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00007091
IUPAC Name:
N-ethyl-2-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H3
InChI Key:
CQIKVOWCSGXCCG-UHFFFAOYSA-N
SMILES:
CCNc1ccccc1[N+](=O)[O-]
EC Number:
233-305-4
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| N,N'-diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone. | Acta crystallographica. Section C, Crystal structure communications 20100701 |
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