AG000IL5

1193162-25-2 | Benzoic acid, 4-bromo-5-fluoro-2-hydroxy-, methyl ester

AG000IL5

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CAS Number	1193162-25-2
Catalog Number	AG000IL5(AGN-PC-0WD0LU)
Chemical Name	Benzoic acid, 4-bromo-5-fluoro-2-hydroxy-, methyl ester
IUPAC Name	methyl 4-bromo-5-fluoro-2-hydroxybenzoate
InChI	InChI=1S/C8H6BrFO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3
InChI Key	WCXWROSPLXHQFI-UHFFFAOYSA-N
MDL Number	MFCD23701539
Molecular Formula	C8H6BrFO3
Molecular Weight	249.0338
SMILES	COC(=O)C1=C(O)C=C(Br)C(F)=C1
Synonyms	Methyl 4-bromo-5-fluoro-2-hydroxybenzoate, 1193162-25-2, Methyl4-bromo-5-fluoro-2-hydroxybenzoate, 4-Bromo-5-fluoro-2-hydroxy-benzoic acid methyl ester, SCHEMBL1044548, DTXSID70735973, WCXWROSPLXHQFI-UHFFFAOYSA-N, 3308AA, DT1106, MFCD23701539, ZINC85210579, AKOS016008825, CM12502, FCH2329305, PC53322, AK110351, AS-33115, AJ-126651, AX8227813, CS-0061825, FT-0696029, Benzoic acid, 4-bromo-5-fluoro-2-hydroxy-, methyl ester, C8H6BrFO3, Methyl 4-broMo-5-fluoro-2-hydroxy-benzoate,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.035g/mol
Monoisotopic Mass	247.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number