AG0007FF

10242-11-2 | 5-Bromobenzofuran-2-carboxylic acid

AG0007FF

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CAS Number	10242-11-2
Catalog Number	AG0007FF(AGN-PC-0JVNPM)
Chemical Name	5-Bromobenzofuran-2-carboxylic acid
IUPAC Name	5-bromo-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key	QKUWZCOVKRUXKX-UHFFFAOYSA-N
MDL Number	MFCD00093973
Molecular Formula	C9H5BrO3
Molecular Weight	241.0382
SMILES	OC(=O)C1=CC2=C(O1)C=CC(Br)=C2
Synonyms	5-bromo-1-benzofuran-2-carboxylic acid, 5-Bromobenzofuran-2-carboxylic acid, 10242-11-2, 2-benzofurancarboxylic acid, 5-bromo-, 5-Bromobenzo[b]furan-2-carboxylic acid, CHEMBL1738916, 5-Bromo-2-carboxy-1-benzofuran, 2-Benzofurancarboxylicacid, 5-bromo-, 5-Bromo-benzofuran-2-carboxylic acid, 5-BROMO-2-BENZOFURANCARBOXYLIC ACID, ZERO/004865, ACMC-1BXOO, AC1LEFH2, AC1Q73UK, AC1Q26S2, SCHEMBL2198563, CTK0H1734, DTXSID20352750, BUTTPARK 34\07-74, QKUWZCOVKRUXKX-UHFFFAOYSA-N, ZINC151407, ALBB-024355, EBD50922, KS-00001V5S, ANW-14702, BBL011977, BDBM50345231, MFCD00093973, SBB013025, STK319356, AKOS000103501, 5-Bromo benzo furan 2-carboxylic acid, AS06436, CM10748, MB00634, MCULE-1188726875, RP05851, VZ30070, AJ-12653, AK-98190, BP-20072, SC-43762, AB0039374, DB-026322, ST4131798, TR-000608, CS-0062572, FT-0636663, UX00005350, Y6829, EN300-37049, A-4193, 2Y-0823, W-204455, I01-12956, F3099-6012, Z111570846, A4136/0176352, UNJ, C9H5BrO3, AR-1D9012, CID735247, ACN-026954, 102433-78-3,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.942g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.04g/mol
Monoisotopic Mass	239.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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