AG00E8YN

575-03-1 | 7-Hydroxy-4-(trifluoromethyl)coumarin

AG00E8YN

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CAS Number	575-03-1
Catalog Number	AG00E8YN(AGN-PC-0LQFXF)
Chemical Name	7-Hydroxy-4-(trifluoromethyl)coumarin
IUPAC Name	7-hydroxy-4-(trifluoromethyl)chromen-2-one
InChI	InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChI Key	CCKWMCUOHJAVOL-UHFFFAOYSA-N
MDL Number	MFCD00037578
Molecular Formula	C10H5F3O3
Molecular Weight	230.1401
NSC Number	138174
SMILES	OC1=CC=C2C(=CC(OC2=C1)=O)C(F)(F)F
Synonyms	7,4-HFC, 7-hydroxy-4-trifluoromethylcoumarin, 7-Hydroxy-4-(trifluoromethyl)coumarin, 575-03-1, 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one, 7-Hydroxy-4-trifluoromethylcoumarin, 7-hydroxy-4-(trifluoromethyl)chromen-2-one, 4-(Trifluoromethyl)umbelliferone, 7-Hydroxy-4-trifluoromethyl-chromen-2-one, CHEMBL104679, CCKWMCUOHJAVOL-UHFFFAOYSA-N, MFCD00037578, 2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-, 7,4-Hfc, Maybridge1_006885, TFMU, PubChem8688, ACMC-1AKLT, AC1NT9P6, SCHEMBL307508, AC1Q795W, 4-(trifluoromethyl)umbeilliferone, CTK5A6979, HMS561A21, ZINC57916, DTXSID80206109, 4-trifluoromethyl-7-hydroxycoumarin, 4-TRIFLUOROMETHYLUMBELLIFERONE, ANW-50599, BBL010638, BDBM50305310, CH-856, NSC138174, SBB006559, STK723044, 4-(Trifluoromethyl)-7-hydroxycoumarin, AKOS001044552, CCG-245903, FS-1127, MCULE-7373382658, NSC-138174, 7-hydroxy-4-(trifluoromethyl) coumarin, 7-hydroxy-4-(trifluoromethyl)-coumarin, AJ-09792, AK-15506, AN-46016, AT-11318, BR-15506, ZB002269, DB-001497, TR-020075, 4CH-007199, 7-Hydroxy-4-(trifluoromethyl)coumarin, 98%, AM20061185, FT-0621421, ST24029947, ST50306867, W7088, C-5410, 575H031, 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one #, J-100243, 2H-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-, 7-Hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one, Z56895672, 2H-1-Benzopyran-2-one,7-hydroxy-4-(trifluoromethyl)-, InChI=1/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14, trifluoromethylumbelliferone, C10H5F3O3, C10-H5-F3-O3, CID5375667, A8197, H1422, C084236, 7-Hydroxy-4-(trifluoromethyl)coumarin, 98% - 1G 1g,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.019g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.142g/mol
Monoisotopic Mass	230.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P264-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number