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Home > Nitro Compounds > 1157071-50-5
1157071-50-5 | 4-methyl-3-nitro-N-(propan-2-yl)aniline
CAS No: 1157071-50-5 Catalog No: AG00NWV6 MDL No:MFCD12147815
Product Description
Catalog Number:
AG00NWV6
Chemical Name:
4-methyl-3-nitro-N-(propan-2-yl)aniline
CAS Number:
1157071-50-5
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD12147815
IUPAC Name:
4-methyl-3-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C10H14N2O2/c1-7(2)11-9-5-4-8(3)10(6-9)12(13)14/h4-7,11H,1-3H3
InChI Key:
VYOVRUMNTYRYAW-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(c(c1)[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:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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