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Home > Fluorides > 261945-82-8
261945-82-8 | Benzene, 1,5-dimethyl-2-nitro-4-(trifluoromethyl)-
CAS No: 261945-82-8 Catalog No: AG002S5L MDL No:MFCD01631630
Product Description
Catalog Number:
AG002S5L
Chemical Name:
Benzene, 1,5-dimethyl-2-nitro-4-(trifluoromethyl)-
CAS Number:
261945-82-8
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD01631630
IUPAC Name:
1,5-dimethyl-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8F3NO2/c1-5-3-6(2)8(13(14)15)4-7(5)9(10,11)12/h3-4H,1-2H3
InChI Key:
HMRYPTHOPWUPOB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(cc1C)C)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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