AG002B44

197846-05-2 | 2-Bromo-3-furancarboxylic acid

AG002B44

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CAS Number	197846-05-2
Catalog Number	AG002B44(AGN-PC-036FVS)
Chemical Name	2-Bromo-3-furancarboxylic acid
IUPAC Name	2-bromofuran-3-carboxylic acid
InChI	InChI=1S/C5H3BrO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChI Key	UJNWWTUUYCCIFL-UHFFFAOYSA-N
MDL Number	MFCD09702417
Molecular Formula	C5H3BrO3
Molecular Weight	190.9795
SMILES	C(=O)(O)c1c(Br)occ1
Synonyms	2-Bromo-3-furoic acid, 2-bromofuran-3-carboxylic acid, 197846-05-2, 3-Furancarboxylic acid, 2-bromo-, 2-Bromo-3-carboxyfuran, 2-bromo3-Furancarboxylic acid, 2-bromo-3-furancarboxylic acid, SCHEMBL2413331, CTK4E2321, 3-Furancarboxylic acid,2-bromo-, DTXSID20611117, 2-bromanylfuran-3-carboxylic acid, UJNWWTUUYCCIFL-UHFFFAOYSA-N, 2-bromo-3-furoic acid, AldrichCPR, BBL101840, MFCD09702417, SBB053084, STL555637, ZINC12370770, AKOS006345254, 2-Bromofuran-3-carboxylic acid, 96%, CB-3571, NE14288, AC-25744, AJ-61867, AB0100957, DB-020603, RT-007441, CS-0029968, FT-0691569, Z5486, A813945, I09-1542, Z1889902496, C5H3BrO3,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.927g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.98g/mol
Monoisotopic Mass	189.927g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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