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Home > Fluorides > 155628-03-8
155628-03-8 | 3'-tert-Butyl-2,2,2-trifluoroacetophenone
CAS No: 155628-03-8 Catalog No: AG01FBPE MDL No:
Product Description
Catalog Number:
AG01FBPE
Chemical Name:
3'-tert-Butyl-2,2,2-trifluoroacetophenone
CAS Number:
155628-03-8
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
1-(3-tert-butylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
InChI Key:
XAZQUPBUJONHAF-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cccc(c1)C(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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