AG007G4M

10487-10-2 | 1,1,1-Trifluoro-2-hydroxy-2-trifluoromethyl-pentan-4-one

AG007G4M

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CAS Number	10487-10-2
Catalog Number	AG007G4M(AGN-PC-0JPDBV)
Chemical Name	1,1,1-Trifluoro-2-hydroxy-2-trifluoromethyl-pentan-4-one
IUPAC Name	5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
InChI	InChI=1S/C6H6F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h14H,2H2,1H3
InChI Key	PUQOFPBLAZEPBN-UHFFFAOYSA-N
MDL Number	MFCD15143413
Molecular Formula	C6H6F6O2
Molecular Weight	224.1011
SMILES	C(CC(=O)C)(C(F)(F)F)(C(F)(F)F)O
Synonyms	10487-10-2, 1,1,1-trifluoro-2-hydroxy-2-trifluoromethyl-pentan-4-one, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one, 5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone, 2-Pentanone, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-, PUQOFPBLAZEPBN-UHFFFAOYSA-N, AC1L6K4L, AC1Q5GX4, SCHEMBL5605062, CTK4A3436, KS-00000YRW, ZINC1614774, MFCD15143413, AKOS005063422, GS-0003, AK184107, 4-Hydroxy-4-(trifluoromethyl)-5,5,5-trifluoropentane-2-one, AR-1G5830, CID293420, NSC160000, 10498-83-6,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.027g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.102g/mol
Monoisotopic Mass	224.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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