AG00EC2U

59820-91-6 | 7-Bromo-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid

AG00EC2U

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CAS Number	59820-91-6
Catalog Number	AG00EC2U(AGN-PC-0WB4XA)
Chemical Name	7-Bromo-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid
IUPAC Name	6-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
InChI	InChI=1S/C9H7BrO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2H2,(H,11,12)
InChI Key	DMPSJWYHZMDSPL-UHFFFAOYSA-N
MDL Number	MFCD00510294
Molecular Formula	C9H7BrO4
Molecular Weight	259.0535
SMILES	BrC=1C(=CC2=C(OCCO2)C1)C(=O)O
Synonyms	59820-91-6, 7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID, 7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid, AC1MGRN0, SCHEMBL14907130, CTK5B0546, CHEMBRDG-BB 9003902, ZINC4858647, MFCD00510294, AKOS003667539, MCULE-7981636825, AJ-52471, VU0493226-1, W-7232, 6-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid, 7-Bromo-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid AldrichCPR, 7-Bromo-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid, AldrichCPR, 6406-16-2, CID2990611, 4-bromo-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-3-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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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