AG00357G

58235-80-6 | Methyl 4-bromofuran-2-carboxylate

AG00357G

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CAS Number	58235-80-6
Catalog Number	AG00357G(AGN-PC-0NI79Q)
Chemical Name	Methyl 4-bromofuran-2-carboxylate
IUPAC Name	methyl 4-bromofuran-2-carboxylate
InChI	InChI=1S/C6H5BrO3/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3
InChI Key	RKEXKLRKXLRNMV-UHFFFAOYSA-N
MDL Number	MFCD00092559
Molecular Formula	C6H5BrO3
Molecular Weight	205.0061
SMILES	BrC=1C=C(OC1)C(=O)OC
Synonyms	Methyl 4-bromofuran-2-carboxylate, 58235-80-6, METHYL4-BROMOFURAN-2-CARBOXYLATE, 4-Bromofuran-2-carboxylic acid methyl ester, 4-bromo-furan-2-carboxylic acid methyl ester, methyl 4-bromo-2-furoate, SCHEMBL1529732, CTK1G8563, DTXSID00481916, methyl 4-bromo-2-furancarboxylate, RKEXKLRKXLRNMV-UHFFFAOYSA-N, CS-M2917, KS-000002JJ, ANW-50352, MFCD00092559, ZINC39189351, AKOS015920032, FS-3129, TRA0169735, AJ-98906, AK-39920, BR-39920, CJ-19816, QC-10348, SC-89329, SY023052, AB0025646, TR-020256, 4CH-007510, FT-0700078, ST24031096, W7140, S-6088, 2-Furancarboxylic acid, 4-bromo-, methyl ester, MFCD00092559 (97+%), 4-Bromo-furan-2-carboxylic acid methyl ester, AldrichCPR, C6H5BrO3, C2207,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.942g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.007g/mol
Monoisotopic Mass	203.942g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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