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728-86-9 | Phenyl(4-(trifluoromethyl);phenyl);methanone
CAS No: 728-86-9 Catalog No: AG003KBP MDL No:MFCD00000400
Product Description
Catalog Number:
AG003KBP
Chemical Name:
Phenyl(4-(trifluoromethyl);phenyl);methanone
CAS Number:
728-86-9
Molecular Formula:
C14H9F3O
Molecular Weight:
250.2159
MDL Number:
MFCD00000400
IUPAC Name:
phenyl-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
InChI Key:
OHTYZZYAMUVKQS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)C(F)(F)F
EC Number:
211-974-3
NSC Number:
88328
Properties
Complexity:
284
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:
4.1
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