Home Nitros 2-methyl-5-nitro-3-(trifluoromethyl)aniline

2-methyl-5-nitro-3-(trifluoromethyl)aniline

CAS No.:
1169788-30-0
Catalog Number:
AG01BJKH
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
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Product Description
Catalog Number:
AG01BJKH
Chemical Name:
2-methyl-5-nitro-3-(trifluoromethyl)aniline
CAS Number:
1169788-30-0
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD20486188
IUPAC Name:
2-methyl-5-nitro-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7F3N2O2/c1-4-6(8(9,10)11)2-5(13(14)15)3-7(4)12/h2-3H,12H2,1H3
InChI Key:
XPLRFEZPDVQOMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(c(c1)C(F)(F)F)C
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:
2.3  
Properties