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80611-69-4 | Benzene, (phenylmethyl)(3,3,3-trifluoropropyl)-
CAS No: 80611-69-4 Catalog No: AG005KEM MDL No:
Product Description
Catalog Number:
AG005KEM
Chemical Name:
Benzene, (phenylmethyl)(3,3,3-trifluoropropyl)-
CAS Number:
80611-69-4
Molecular Formula:
C16H15F3
Molecular Weight:
264.2855
IUPAC Name:
1-benzyl-2-(3,3,3-trifluoropropyl)benzene
InChI:
InChI=1S/C16H15F3/c17-16(18,19)11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChI Key:
JZSFJTKBHATJOF-UHFFFAOYSA-N
SMILES:
FC(CCc1ccccc1Cc1ccccc1)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.291g/mol
Monoisotopic Mass:
264.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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