Name: Name:Benzo[b]thiophene-2-carboxylic acid, 4-bromo-6-fluoro-
Brand: Angene
SKU: AG005B11
Rating: 90 (10 reviews)

Benzo[b]thiophene-2-carboxylic acid, 4-bromo-6-fluoro-

CAS No.:

826995-60-2

Catalog Number:

AG005B11

Molecular Formula:

C9H4BrFO2S

Molecular Weight:

275.0943

Catalog Number:

AG005B11

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, 4-bromo-6-fluoro-

CAS Number:

826995-60-2

Molecular Formula:

C9H4BrFO2S

Molecular Weight:

275.0943

MDL Number:

MFCD13180839

IUPAC Name:

4-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C9H4BrFO2S/c10-6-1-4(11)2-7-5(6)3-8(14-7)9(12)13/h1-3H,(H,12,13)

InChI Key:

PXGFZIQMCBVBMJ-UHFFFAOYSA-N

SMILES:

Fc1cc(Br)c2c(c1)sc(c2)C(=O)O

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.91g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.091g/mol

Monoisotopic Mass:

273.91g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6