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Home > Fluorides > 1443320-95-3
1443320-95-3 | 3'-(4-tert-Butylphenyl)-2,2,2-trifluoroacetophenone
CAS No: 1443320-95-3 Catalog No: AG01F8TG MDL No:
Product Description
Catalog Number:
AG01F8TG
Chemical Name:
3'-(4-tert-Butylphenyl)-2,2,2-trifluoroacetophenone
CAS Number:
1443320-95-3
Molecular Formula:
C18H17F3O
Molecular Weight:
306.3222
IUPAC Name:
1-[3-(4-tert-butylphenyl)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C18H17F3O/c1-17(2,3)15-9-7-12(8-10-15)13-5-4-6-14(11-13)16(22)18(19,20)21/h4-11H,1-3H3
InChI Key:
OMNYAHMXVPTVDC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cccc(c1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.328g/mol
Monoisotopic Mass:
306.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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