Name: Name:2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-5-methyl-, methyl ester
Brand: Angene
SKU: AG00092V
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-5-methyl-, methyl ester

CAS No.:

113589-26-7

Catalog Number:

AG00092V

Molecular Formula:

C7H7BrO3S

Molecular Weight:

251.0977

Catalog Number:

AG00092V

Chemical Name:

2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-5-methyl-, methyl ester

CAS Number:

113589-26-7

Molecular Formula:

C7H7BrO3S

Molecular Weight:

251.0977

MDL Number:

MFCD17012774

IUPAC Name:

methyl 4-bromo-3-hydroxy-5-methylthiophene-2-carboxylate

InChI:

InChI=1S/C7H7BrO3S/c1-3-4(8)5(9)6(12-3)7(10)11-2/h9H,1-2H3

InChI Key:

BHECESYNGLJWQG-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc(c(c1O)Br)C

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.93g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.094g/mol

Monoisotopic Mass:

249.93g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1