AG00DI3P

439107-94-5 | 6-bromo-1-benzofuran-2-carboxylic acid

AG00DI3P

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CAS Number	439107-94-5
Catalog Number	AG00DI3P(AGN-PC-0K5PY0)
Chemical Name	6-bromo-1-benzofuran-2-carboxylic acid
IUPAC Name	6-bromo-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C9H5BrO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key	ULBSHNJYWRMJRZ-UHFFFAOYSA-N
MDL Number	MFCD03012913
Molecular Formula	C9H5BrO3
Molecular Weight	241.0382
SMILES	OC(=O)C1=CC2=C(O1)C=C(Br)C=C2
Synonyms	6-Bromobenzofuran-2-carboxylic acid, 439107-94-5, 6-bromo-1-benzofuran-2-carboxylic acid, 2-BENZOFURANCARBOXYLIC ACID, 6-BROMO-, 6-BROMO-2-BENZOFURANCARBOXYLIC ACID, Bionet2_001246, AC1LT0PG, SCHEMBL2197426, CTK8C2284, DTXSID70363053, ULBSHNJYWRMJRZ-UHFFFAOYSA-N, HMS1367I14, ZINC5763295, 6058AB, ANW-68145, MFCD03012913, 2-Benzofurancarboxylic acid,6-bromo-, AKOS016007146, AS06437, CM10749, DP-0001, FCH1334656, MB02552, MCULE-3900545166, AC-27183, ACM439107945, AJ-54797, AK-80688, AN-28359, DA-17099, AX8237058, TC-156890, FT-0763471, 107B945, C9H5BrO3, 6-Bromobenzofuran-2-carboxylicacid, CID1474471,

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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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