Name: Name:5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid Methyl ester
Brand: Angene
SKU: AG00G3N5
Rating: 90 (10 reviews)

5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid Methyl ester

CAS No.:

845617-20-1

Catalog Number:

AG00G3N5

Molecular Formula:

C12H13F3O5S

Molecular Weight:

326.2888

Catalog Number:

AG00G3N5

Chemical Name:

5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid Methyl ester

CAS Number:

845617-20-1

Molecular Formula:

C12H13F3O5S

Molecular Weight:

326.2888

MDL Number:

MFCD25977307

IUPAC Name:

methyl 5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoate

InChI:

InChI=1S/C12H13F3O5S/c1-7(12(13,14)15)20-10-5-4-8(21(3,17)18)6-9(10)11(16)19-2/h4-7H,1-3H3/t7-/m0/s1

InChI Key:

BVJQZAHQFKJQSQ-ZETCQYMHSA-N

SMILES:

COC(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.286g/mol

Monoisotopic Mass:

326.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5