Name: Name:3-{[(2-chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Brand: Angene
SKU: AG019Y3R
Rating: 90 (10 reviews)

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

CAS No.:

1039967-31-1

Catalog Number:

AG019Y3R

Molecular Formula:

C16H11ClO3S

Molecular Weight:

318.7747

Catalog Number:

AG019Y3R

Chemical Name:

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

CAS Number:

1039967-31-1

Molecular Formula:

C16H11ClO3S

Molecular Weight:

318.7747

MDL Number:

MFCD13378784

IUPAC Name:

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

InChI:

InChI=1S/C16H11ClO3S/c17-12-6-2-4-8-14(12)21-9-11-10-5-1-3-7-13(10)20-15(11)16(18)19/h1-8H,9H2,(H,18,19)

InChI Key:

HEHFZRZVWZCQAM-UHFFFAOYSA-N

SMILES:

OC(=O)c1oc2c(c1CSc1ccccc1Cl)cccc2

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.771g/mol

Monoisotopic Mass:

318.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8