Name: Name:3-{[(4-fluorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Brand: Angene
SKU: AG019Y3S
Rating: 90 (10 reviews)

3-{[(4-fluorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

CAS No.:

1040084-06-7

Catalog Number:

AG019Y3S

Molecular Formula:

C16H11FO3S

Molecular Weight:

302.3201

Catalog Number:

AG019Y3S

Chemical Name:

3-{[(4-fluorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

CAS Number:

1040084-06-7

Molecular Formula:

C16H11FO3S

Molecular Weight:

302.3201

MDL Number:

MFCD13378778

IUPAC Name:

3-[(4-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C16H11FO3S/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)20-15(13)16(18)19/h1-8H,9H2,(H,18,19)

InChI Key:

RQDMZTJFMUFHGZ-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)SCc1c(oc2c1cccc2)C(=O)O

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.319g/mol

Monoisotopic Mass:

302.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3