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Home > Fluorides > 136664-96-5
136664-96-5 | Benzene, 1-methyl-2,4-bis(trifluoromethyl)-
CAS No: 136664-96-5 Catalog No: AG00127E MDL No:MFCD00792411
Product Description
Catalog Number:
AG00127E
Chemical Name:
Benzene, 1-methyl-2,4-bis(trifluoromethyl)-
CAS Number:
136664-96-5
Molecular Formula:
C9H6F6
Molecular Weight:
228.1344
MDL Number:
MFCD00792411
IUPAC Name:
1-methyl-2,4-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h2-4H,1H3
InChI Key:
ZBIUGZLUAUOIRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.137g/mol
Monoisotopic Mass:
228.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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