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Home > Nitro Compounds > 20191-74-6
20191-74-6 | 2-Ethyl-5-nitroaniline
CAS No: 20191-74-6 Catalog No: AG0033AO MDL No:MFCD00034056
Product Description
Catalog Number:
AG0033AO
Chemical Name:
2-Ethyl-5-nitroaniline
CAS Number:
20191-74-6
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00034056
IUPAC Name:
2-ethyl-5-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
InChI Key:
MMZWMCKTKJKIMC-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1N)[N+](=O)[O-]
Properties
Complexity:
167
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:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 2-Ethyl-5-nitro-aniline. | Acta crystallographica. Section E, Structure reports online 20090401 |
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