AG003IK0

21221-93-2 | 3,5-BIS(TRIFLUOROMETHYL)BENZOPHENONE

AG003IK0

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CAS Number	21221-93-2
Catalog Number	AG003IK0(AGN-PC-0JLXOM)
Chemical Name	3,5-BIS(TRIFLUOROMETHYL)BENZOPHENONE
EC Number	244-282-5
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]-phenylmethanone
InChI	InChI=1S/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H
InChI Key	QETSMUIBVUASOJ-UHFFFAOYSA-N
MDL Number	MFCD00015510
Molecular Formula	C15H8F6O
Molecular Weight	318.2138
SMILES	O=C(C1=CC=CC=C1)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
Synonyms	3,5-Bis(trifluoromethyl)benzophenone, 21221-93-2, (3,5-bis(trifluoromethyl)phenyl)(phenyl)methanone, MFCD00015510, [3,5-bis(trifluoromethyl)phenyl](phenyl)methanone, fxffr cvr& exfff, 3',5'-Bis(trifluoromethyl)benzophenone, ACMC-1COTV, AC1L3GKR, AC1Q4JJ1, SCHEMBL3660211, CTK4E6128, DTXSID90175458, QETSMUIBVUASOJ-UHFFFAOYSA-N, JRD-0401, ZINC3079394, ZX-AP002737, 3,5-di(Trifluoromethyl)benzophenone, EINECS 244-282-5, 7201AD, PC3103, 3,5-Bis(trifluoromethyl) benzophenone, AKOS015852664, CB-3675, MCULE-3598709982, VZ25647, AK306024, CC-13360, PS-11010, DB-045513, TR-009966, 3,5-bis(trifluoromethyl)phenyl phenyl ketone, A4587, FT-0614458, ST50827147, C-5356, [3,5-bis(trifluoromethyl)phenyl]-phenylmethanone, C-19549, Methanone,[3,5-bis(trifluoromethyl)phenyl]phenyl-, I01-14738, C15H8F6O, CID88830, AR-1J1096, ZINC03079394, 21736-60-7,

Complexity	372
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.048g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.218g/mol
Monoisotopic Mass	318.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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