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1496-15-7 | 9H-Xanthen-9-one, 2-(trifluoromethyl)-
CAS No: 1496-15-7 Catalog No: AG001LVD MDL No:MFCD03701090
Product Description
Catalog Number:
AG001LVD
Chemical Name:
9H-Xanthen-9-one, 2-(trifluoromethyl)-
CAS Number:
1496-15-7
Molecular Formula:
C14H7F3O2
Molecular Weight:
264.1994
MDL Number:
MFCD03701090
IUPAC Name:
2-(trifluoromethyl)xanthen-9-one
InChI:
InChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
InChI Key:
LEOGBDMNMFJKRV-UHFFFAOYSA-N
SMILES:
O=c1c2cc(ccc2oc2c1cccc2)C(F)(F)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.203g/mol
Monoisotopic Mass:
264.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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