AG0064Y8

72517-15-8 | 5-Bromo-2,3-dihydroxybenzoic acid

AG0064Y8

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CAS Number	72517-15-8
Catalog Number	AG0064Y8(AGN-PC-0NIW44)
Chemical Name	5-Bromo-2,3-dihydroxybenzoic acid
IUPAC Name	5-bromo-2,3-dihydroxybenzoic acid
InChI	InChI=1S/C7H5BrO4/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,9-10H,(H,11,12)
InChI Key	KUVLHMSXBCGHEY-UHFFFAOYSA-N
MDL Number	MFCD08669420
Molecular Formula	C7H5BrO4
Molecular Weight	233.0162
SMILES	OC(=O)C1=C(O)C(O)=CC(Br)=C1
Synonyms	5-bromo-2,3-dihydroxybenzoic acid, 72517-15-8, 5-bromo-2,3-dihydroxy-benzoic acid, A1-01323, SCHEMBL8285504, CTK8C2186, DTXSID30496159, 2,3-dihydroxy-5-bromobenzoic acid, 1242AC, ANW-67955, ZINC37631149, AKOS005264515, ACN-049367, FCH1389445, AJ-94183, AX8237824, TC-156700, C7H5BrO4, 5-Bromo-2,3-dihydroxybenzoicacid,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.937g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	233.017g/mol
Monoisotopic Mass	231.937g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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