Name: Name:methyl 6-bromo-4-oxo-3,4-dihydro-1H-2-benzothiopyran-3-carboxylate
Brand: Angene
SKU: AG01C2DW
Rating: 90 (10 reviews)

methyl 6-bromo-4-oxo-3,4-dihydro-1H-2-benzothiopyran-3-carboxylate

CAS No.:

1909337-23-0

Catalog Number:

AG01C2DW

Molecular Formula:

C11H9BrO3S

Molecular Weight:

301.1564

Catalog Number:

AG01C2DW

Chemical Name:

methyl 6-bromo-4-oxo-3,4-dihydro-1H-2-benzothiopyran-3-carboxylate

CAS Number:

1909337-23-0

Molecular Formula:

C11H9BrO3S

Molecular Weight:

301.1564

MDL Number:

MFCD29054956

IUPAC Name:

methyl 6-bromo-4-oxo-1H-isothiochromene-3-carboxylate

InChI:

InChI=1S/C11H9BrO3S/c1-15-11(14)10-9(13)8-4-7(12)3-2-6(8)5-16-10/h2-4,10H,5H2,1H3

InChI Key:

QSFRYTLRZNECJH-UHFFFAOYSA-N

SMILES:

COC(=O)C1SCc2c(C1=O)cc(cc2)Br

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.154g/mol

Monoisotopic Mass:

299.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8