AG0040LI

890839-66-4 | 8-(Trifluoromethyl)chroman-4-one

AG0040LI

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CAS Number	890839-66-4
Catalog Number	AG0040LI(AGN-PC-068B96)
Chemical Name	8-(Trifluoromethyl)chroman-4-one
IUPAC Name	8-(trifluoromethyl)-2,3-dihydrochromen-4-one
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3H,4-5H2
InChI Key	OQGMJRUOBDTBBF-UHFFFAOYSA-N
MDL Number	MFCD11506686
Molecular Formula	C10H7F3O2
Molecular Weight	216.1566
SMILES	O=C1CCOC2=C1C=CC=C2C(F)(F)F
Synonyms	8-(trifluoromethyl)chroman-4-one, 890839-66-4, 8-Trifluoromethyl-chroman-4-one, AMOT0861, SCHEMBL2315421, CTK5G2523, KS-00000HZU, DTXSID00655175, OQGMJRUOBDTBBF-UHFFFAOYSA-N, BCP26918, 4706AC, ANW-53087, MFCD11506686, ZINC64034219, AKOS005146442, CT-1049, AK-50843, DS-15555, SC-28405, AJ-114757, AX8162597, DB-026437, TC-061797, AM20041343, FT-0698469, ST24029990, T80203, I14-10439, 8-(Trifluoromethyl)-2,3-dihydro-4H-1-benzopyran-4-one, C10H7F3O2, ACN-041102, A15886,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.159g/mol
Monoisotopic Mass	216.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number