AG003MGD

41177-72-4 | 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic acid

AG003MGD

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CAS Number	41177-72-4
Catalog Number	AG003MGD(AGN-PC-0KL74A)
Chemical Name	5-Bromo-2,3-dihydrobenzofuran-7-carboxylic acid
IUPAC Name	5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid
InChI	InChI=1S/C9H7BrO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12)
InChI Key	LEBMKAXASFPSFA-UHFFFAOYSA-N
MDL Number	MFCD00191391
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	OC(C1=C2C(CCO2)=CC(Br)=C1)=O
Synonyms	5-bromo-2,3-dihydrobenzofuran-7-carboxylic Acid, 41177-72-4, 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid, 5-Bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid, 5-bromo-2,3-dihydro-benzofuran-7-carboxylic acid, 7-Benzofurancarboxylic acid, 5-bromo-2,3-dihydro-, 5-Bromocoumaran-7-carboxylic Acid, zlchem 1161, AC1MDRX6, ACMC-1AQU8, AC1Q72YT, SCHEMBL1029688, CTK4I4368, DTXSID00383421, ZLD0630, LEBMKAXASFPSFA-UHFFFAOYSA-N, ZINC2556807, 5646AB, ANW-29581, MFCD00191391, SBB053300, AKOS015994831, CS-W023134, MCULE-8167201536, RP28552, KS-0000165F, AJ-39986, EN001233, TS-03376, DB-049723, TC-118326, FT-0639698, ST50949639, 5-Bromo-2,3-dihydrobenzofuran-7-carboxylicAcid, 5-bromo-2,3 -dihydrobenzofuran-7-carboxylic acid, A825458, J-516870, I14-58926, 5-bromanyl-2,3-dihydro-1-benzofuran-7-carboxylic acid, 5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid, AldrichCPR, C9H7BrO3, CID2794797, B1705,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.056g/mol
Monoisotopic Mass	241.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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