Name: Name:Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester
Brand: Angene
SKU: AG00BF42
Rating: 90 (10 reviews)

Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester

CAS No.:

21172-43-0

Catalog Number:

AG00BF42

Molecular Formula:

C11H13F3O3S

Molecular Weight:

282.2793

Catalog Number:

AG00BF42

Chemical Name:

Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester

CAS Number:

21172-43-0

Molecular Formula:

C11H13F3O3S

Molecular Weight:

282.2793

MDL Number:

MFCD27947302

IUPAC Name:

3-[3-(trifluoromethyl)phenyl]propyl methanesulfonate

InChI:

InChI=1S/C11H13F3O3S/c1-18(15,16)17-7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8H,3,5,7H2,1H3

InChI Key:

UUMKCYVXQLVAHM-UHFFFAOYSA-N

SMILES:

CS(=O)(=O)OCCCc1cccc(c1)C(F)(F)F

Complexity:

346

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.277g/mol

Monoisotopic Mass:

282.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8