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Home > Nitro Compounds > 619-26-1
619-26-1 | N-Methyl-3-nitroaniline
CAS No: 619-26-1 Catalog No: AG003JTH MDL No:MFCD00963641
Product Description
Catalog Number:
AG003JTH
Chemical Name:
N-Methyl-3-nitroaniline
CAS Number:
619-26-1
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD00963641
IUPAC Name:
N-methyl-3-nitroaniline
InChI:
InChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3
InChI Key:
IKSRCCUOUJJGAU-UHFFFAOYSA-N
SMILES:
CNc1cccc(c1)[N+](=O)[O-]
NSC Number:
1137
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| N-(4-Methyl-benz-yl)-3-nitro-aniline. | Acta crystallographica. Section E, Structure reports online 20120601 |
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