Name: Name:(2E)-3-{4-[(trifluoromethyl)sulfanyl]phenyl}prop-2-enoic acid
Brand: Angene
SKU: AG01EM7P
Rating: 90 (10 reviews)

(2E)-3-{4-[(trifluoromethyl)sulfanyl]phenyl}prop-2-enoic acid

CAS No.:

865350-55-6

Catalog Number:

AG01EM7P

Molecular Formula:

C10H7F3O2S

Molecular Weight:

248.2216

Catalog Number:

AG01EM7P

Chemical Name:

(2E)-3-{4-[(trifluoromethyl)sulfanyl]phenyl}prop-2-enoic acid

CAS Number:

865350-55-6

Molecular Formula:

C10H7F3O2S

Molecular Weight:

248.2216

MDL Number:

MFCD03002854

IUPAC Name:

(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid

InChI:

InChI=1S/C10H7F3O2S/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+

InChI Key:

UNRRBIKDFCHNDJ-ZZXKWVIFSA-N

SMILES:

OC(=O)/C=C/c1ccc(cc1)SC(F)(F)F

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.219g/mol

Monoisotopic Mass:

248.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5