AG008WUP

105603-49-4 | Methyl 5-bromo-2,3-dihydroxybenzoate

AG008WUP

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CAS Number	105603-49-4
Catalog Number	AG008WUP(AGN-PC-09T3T2)
Chemical Name	Methyl 5-bromo-2,3-dihydroxybenzoate
IUPAC Name	methyl 5-bromo-2,3-dihydroxybenzoate
InChI	InChI=1S/C8H7BrO4/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,10-11H,1H3
InChI Key	DADZQRYTHXRMPM-UHFFFAOYSA-N
MDL Number	MFCD01412199
Molecular Formula	C8H7BrO4
Molecular Weight	247.0428
SMILES	O=C(OC)C1=CC(Br)=CC(O)=C1O
Synonyms	METHYL 5-BROMO-2,3-DIHYDROXYBENZOATE, 105603-49-4, 5-Bromo-2,3-dihydroxybenzoic acid methyl ester, AK138017, A1-01324, SCHEMBL856043, KS-00000RQO, DTXSID70700141, ZINC5526416, MFCD01412199, AKOS022173708, ACN-052862, DS-5942, FCH2423847, AJ-54267, AX8259566,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.044g/mol
Monoisotopic Mass	245.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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