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844856-44-6 | 3-Methyl-3'-trifluoromethylbiphenyl
CAS No: 844856-44-6 Catalog No: AG01EXP2 MDL No:
Product Description
Catalog Number:
AG01EXP2
Chemical Name:
3-Methyl-3'-trifluoromethylbiphenyl
CAS Number:
844856-44-6
Molecular Formula:
C14H11F3
Molecular Weight:
236.2323
IUPAC Name:
1-methyl-3-[3-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C14H11F3/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15,16)17/h2-9H,1H3
InChI Key:
MDUSLIIDSGHPFP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.237g/mol
Monoisotopic Mass:
236.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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