Name: Name:2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A8A5
Rating: 90 (10 reviews)

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid

CAS No.:

153783-86-9

Catalog Number:

AG01A8A5

Molecular Formula:

C10H9ClO3S

Molecular Weight:

244.6947

Catalog Number:

AG01A8A5

Chemical Name:

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid

CAS Number:

153783-86-9

Molecular Formula:

C10H9ClO3S

Molecular Weight:

244.6947

MDL Number:

MFCD04067646

IUPAC Name:

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid

InChI:

InChI=1S/C10H9ClO3S/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChI Key:

JIYHIZUYCBNBNM-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)Cl)CSCC(=O)O

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.689g/mol

Monoisotopic Mass:

243.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5