AG0093MB

1131587-92-2 | Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

AG0093MB

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CAS Number	1131587-92-2
Catalog Number	AG0093MB(AGN-PC-0WAN1I)
Chemical Name	Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
IUPAC Name	methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6BrF3O3/c1-16-8(15)4-2-6(10)5(3-7(4)14)9(11,12)13/h2-3,14H,1H3
InChI Key	ZFAKQPQSRXDSBA-UHFFFAOYSA-N
MDL Number	MFCD11110855
Molecular Formula	C9H6BrF3O3
Molecular Weight	299.0413
SMILES	O=C(OC)C1=CC(Br)=C(C(F)(F)F)C=C1O
Synonyms	methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate, 1131587-92-2, AK133850, 5-Bromo-2-hydroxy-4-trifluoromethyl-benzoic acid methyl ester, SCHEMBL20471822, CTK8E2061, KS-00000RJG, DTXSID30661002, MFCD11110855, ZINC39951721, AKOS015852172, ACN-037669, DS-4724, BC687174, SC-89182, AJ-100805, AX8255401, TC-067049, 4CH-003860, CS-0061826, FT-0655720, ST24047978, Z-9119, A802803, I14-5459, methyl 5-bromanyl-2-oxidanyl-4-(trifluoromethyl)benzoate, METHYL 5-BROMO-2-HYDROXY-4-(TRIFLUOROMETHYL)BENZOA, 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoic acid methyl ester, Methyl5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.945g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	299.043g/mol
Monoisotopic Mass	297.945g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number