AG003JV9

350-92-5 | 1,1,1-Trifluoro-3-phenylpropan-2-one

AG003JV9

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CAS Number	350-92-5
Catalog Number	AG003JV9(AGN-PC-0JNBW2)
Chemical Name	1,1,1-Trifluoro-3-phenylpropan-2-one
IUPAC Name	1,1,1-trifluoro-3-phenylpropan-2-one
InChI	InChI=1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key	IAJKTOIWQHTZOS-UHFFFAOYSA-N
MDL Number	MFCD00068171
Molecular Formula	C9H7F3O
Molecular Weight	188.1465
NSC Number	10062
SMILES	O=C(CC1=CC=CC=C1)C(F)(F)F
Synonyms	350-92-5, 3-Phenyl-1,1,1-Trifluoropropan-2-One, 1,1,1-trifluoro-3-phenylpropan-2-one, 1,1,1-trifluoro-3-phenylacetone, 1,1,1-Trifluoro-3-phenyl-2-propanone, benzyl trifluoromethyl ketone, 1,1,1-Trifluoro-3-phenyl-propan-2-one, CHEMBL292454, MFCD00068171, 2-Propanone, 1,1,1-trifluoro-3-phenyl-, NSC10062, ACMC-20amz1, Trifluoromethylbenzyl ketone, AC1Q4I4H, AC1Q5H1U, trifluoromethyl benzyl ketone, KSC227M3D, AC1L5C71, SCHEMBL1042453, DTXSID40278786, IAJKTOIWQHTZOS-UHFFFAOYSA-N, 1,1,1-trifluoro-3-phenylpropanone, ZINC1705972, BBL103102, BDBM50163153, NSC-10062, SBB090720, STL556912, AKOS005258226, MCULE-1401345571, RP24808, RTR-014472, AN-44465, CJ-06728, CJ-28834, PS-11505, SC-43998, AB0063108, TR-014472, AM20040255, FT-0616323, ST50825285, V5403, 1,1,1-Trifluoro-3-phenyl-2-propanone, 96%, K-7959, 350P925, I14-6663, J-019867, C9H7F3O, KST-1B3929, AR-1B3848, CID222958, 1,1,1-Trifluoro-3-phenyl-2-propanone, 97% - 1G 1g, 39751-84-3,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.149g/mol
Monoisotopic Mass	188.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P302+P352-P303+P361+P353-P304+P340-P312-P322-P330-P363-P370+P378-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number