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33992-16-4 | Methyl-(4-methyl-3-nitro-phenyl)-amine
CAS No: 33992-16-4 Catalog No: AG01FCU0 MDL No:
Product Description
Catalog Number:
AG01FCU0
Chemical Name:
Methyl-(4-methyl-3-nitro-phenyl)-amine
CAS Number:
33992-16-4
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
N,4-dimethyl-3-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-6-3-4-7(9-2)5-8(6)10(11)12/h3-5,9H,1-2H3
InChI Key:
IYEKTRISTOHSPS-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)[N+](=O)[O-])C
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:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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