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1813-24-7 | Benzenamine, 5-methyl-2-nitro-4-(trifluoromethyl)-
CAS No: 1813-24-7 Catalog No: AG0022TG MDL No:MFCD15527578
Product Description
Catalog Number:
AG0022TG
Chemical Name:
Benzenamine, 5-methyl-2-nitro-4-(trifluoromethyl)-
CAS Number:
1813-24-7
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD15527578
IUPAC Name:
5-methyl-2-nitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7F3N2O2/c1-4-2-6(12)7(13(14)15)3-5(4)8(9,10)11/h2-3H,12H2,1H3
InChI Key:
APYSPMUZFXCMTP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(cc1N)C)C(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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