Name: Name:2-[(3-chloro-4-fluorophenyl)sulfanyl]-2-phenylacetic acid
Brand: Angene
SKU: AG01ABG5
Rating: 90 (10 reviews)

2-[(3-chloro-4-fluorophenyl)sulfanyl]-2-phenylacetic acid

CAS No.:

1096966-42-5

Catalog Number:

AG01ABG5

Molecular Formula:

C14H10ClFO2S

Molecular Weight:

296.7444

Catalog Number:

AG01ABG5

Chemical Name:

2-[(3-chloro-4-fluorophenyl)sulfanyl]-2-phenylacetic acid

CAS Number:

1096966-42-5

Molecular Formula:

C14H10ClFO2S

Molecular Weight:

296.7444

MDL Number:

MFCD12569696

IUPAC Name:

2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylacetic acid

InChI:

InChI=1S/C14H10ClFO2S/c15-11-8-10(6-7-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)

InChI Key:

VVDGDPJBOSNPSR-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccccc1)Sc1ccc(c(c1)Cl)F

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.74g/mol

Monoisotopic Mass:

296.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5