AG01B52I

16081-71-3 | 7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid

AG01B52I

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CAS Number	16081-71-3
Catalog Number	AG01B52I(AGN-PC-0LOO6U)
Chemical Name	7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid
IUPAC Name	7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
InChI	InChI=1S/C9H7BrO4/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H,11,12)
InChI Key	GDFMTYVYQCKKOE-UHFFFAOYSA-N
MDL Number	MFCD01547045
Molecular Formula	C9H7BrO4
Molecular Weight	259.0535
SMILES	O=C(C1=C2C(OCCO2)=CC(Br)=C1)O
Synonyms	16081-71-3, 7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid, 7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 7-bromo-1,4-benzodioxan-5-carboxylic acid, AC1NQD7N, Oprea1_616131, SCHEMBL4640445, DTXSID70410899, GDFMTYVYQCKKOE-UHFFFAOYSA-N, ZINC5215888, 8118AA, STL344372, AKOS016011064, MCULE-2635459128, AJ-53616, Z2512942993, 7-Bromo-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid, C9H7BrO4, CID5219346, 4-bromo-7,10-dioxabicyclo[4.4.0]deca-1,3,5-triene-2-carboxylic Acid,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.055g/mol
Monoisotopic Mass	257.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^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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