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Home > Nitro Compounds > 28458-44-8
28458-44-8 | N-methyl-2-nitro-N-(propan-2-yl)aniline
CAS No: 28458-44-8 Catalog No: AG01BGVI MDL No:MFCD28246245
Product Description
Catalog Number:
AG01BGVI
Chemical Name:
N-methyl-2-nitro-N-(propan-2-yl)aniline
CAS Number:
28458-44-8
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD28246245
IUPAC Name:
N-methyl-2-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C10H14N2O2/c1-8(2)11(3)9-6-4-5-7-10(9)12(13)14/h4-8H,1-3H3
InChI Key:
AYTXXXYJGCJQKX-UHFFFAOYSA-N
SMILES:
CC(N(c1ccccc1[N+](=O)[O-])C)C
Properties
Complexity:
201
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:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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