AG002CQ9

20037-37-0 | 5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid

AG002CQ9

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CAS Number	20037-37-0
Catalog Number	AG002CQ9(AGN-PC-0QRC24)
Chemical Name	5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid
IUPAC Name	5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChI Key	OEICZFFUNDGUEF-UHFFFAOYSA-N
MDL Number	MFCD04352513
Molecular Formula	C10H7BrO4
Molecular Weight	271.0642
SMILES	O=C(C1=CC2=CC(Br)=CC(OC)=C2O1)O
Synonyms	5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, 20037-37-0, 5-bromo-7-methoxybenzofuran-2-carboxylic acid, CHEMBL1738915, 2-Benzofurancarboxylic acid, 5-bromo-7-methoxy-, AC1MNUY2, SCHEMBL7382658, CTK4E3109, A3599/0152498, DTXSID60391769, OEICZFFUNDGUEF-UHFFFAOYSA-N, SP341, ZINC2532865, BDBM50345232, MFCD04352513, STK195773, AKOS000113256, MCULE-3349229536, BP-20303, DA-18493, ST4108893, FT-0759504, 5-bromo-7-methoxy-2-benzofurancarboxylic acid, K-5860, 5-bromo-7-methoxybenzo[b]furan-2-carboxylic acid, 5-bromo-7-methoxy-1-benzo[b]furan-2-carboxylic acid, 5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid, AldrichCPR, CHEMBRDG-BB6745535, CID3358971, Une,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.953g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	271.066g/mol
Monoisotopic Mass	269.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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