Name: Name:2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULFANYL]BENZENECARBOXYLIC ACID
Brand: Angene
SKU: AG00GRYW
Rating: 90 (10 reviews)

2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULFANYL]BENZENECARBOXYLIC ACID

CAS No.:

886361-21-3

Catalog Number:

AG00GRYW

Molecular Formula:

C10H9F3O3S

Molecular Weight:

266.2369

Catalog Number:

AG00GRYW

Chemical Name:

2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULFANYL]BENZENECARBOXYLIC ACID

CAS Number:

886361-21-3

Molecular Formula:

C10H9F3O3S

Molecular Weight:

266.2369

MDL Number:

MFCD05663825

IUPAC Name:

2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylbenzoic acid

InChI:

InChI=1S/C10H9F3O3S/c11-10(12,13)8(14)5-17-7-4-2-1-3-6(7)9(15)16/h1-4,8,14H,5H2,(H,15,16)

InChI Key:

GQKOZTHXABATEO-UHFFFAOYSA-N

SMILES:

OC(C(F)(F)F)CSc1ccccc1C(=O)O

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.234g/mol

Monoisotopic Mass:

266.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5