AG007CI8

1065087-84-4 | 3-Bromo-4-Hydroxy-6-Trifluoromethylquinoline

AG007CI8

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CAS Number	1065087-84-4
Catalog Number	AG007CI8(AGN-PC-0WQXGP)
Chemical Name	3-Bromo-4-Hydroxy-6-Trifluoromethylquinoline
IUPAC Name	3-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
InChI	InChI=1S/C10H5BrF3NO/c11-7-4-15-8-2-1-5(10(12,13)14)3-6(8)9(7)16/h1-4H,(H,15,16)
InChI Key	PBWDPZFUWZPUKK-UHFFFAOYSA-N
MDL Number	MFCD13192876
Molecular Formula	C10H5BrF3NO
Molecular Weight	292.0520
SMILES	OC1=C(Br)C=NC2=CC=C(C(F)(F)F)C=C12
Synonyms	3-Bromo-4-hydroxy-6-trifluoromethylquinoline, 1065087-84-4, CTK8E4400, CTK8F4990, DTXSID70671089, MFCD13192876, ZINC41702039, AKOS025394105, PC404592, T6130, 3-Bromo-6-(trifluoromethyl)quinolin-4(1H)-one, 3-Bromo-4-hydroxy-6-trifluoromethylquinoline, AldrichCPR,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.951g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.055g/mol
Monoisotopic Mass	290.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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