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Home > Fluorides > 951886-91-2
951886-91-2 | 3,3',4-Trifluoro-5'-methylbenzophenone
CAS No: 951886-91-2 Catalog No: AG01EZPR MDL No:
Product Description
Catalog Number:
AG01EZPR
Chemical Name:
3,3',4-Trifluoro-5'-methylbenzophenone
CAS Number:
951886-91-2
Molecular Formula:
C14H9F3O
Molecular Weight:
250.2159
IUPAC Name:
(3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methanone
InChI:
InChI=1S/C14H9F3O/c1-8-4-10(6-11(15)5-8)14(18)9-2-3-12(16)13(17)7-9/h2-7H,1H3
InChI Key:
NKBFHVDRWSNBKY-UHFFFAOYSA-N
SMILES:
Cc1cc(F)cc(c1)C(=O)c1ccc(c(c1)F)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.22g/mol
Monoisotopic Mass:
250.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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