Name: Name:Benzoic acid, 2-fluoro-5-(Methylsulfonyl)-, Methyl ester
Brand: Angene
SKU: AG00GU1Q
Rating: 90 (10 reviews)

Benzoic acid, 2-fluoro-5-(Methylsulfonyl)-, Methyl ester

CAS No.:

865663-98-5

Catalog Number:

AG00GU1Q

Molecular Formula:

C9H9FO4S

Molecular Weight:

232.2288

Catalog Number:

AG00GU1Q

Chemical Name:

Benzoic acid, 2-fluoro-5-(Methylsulfonyl)-, Methyl ester

CAS Number:

865663-98-5

Molecular Formula:

C9H9FO4S

Molecular Weight:

232.2288

MDL Number:

MFCD16658803

IUPAC Name:

methyl 2-fluoro-5-methylsulfonylbenzoate

InChI:

InChI=1S/C9H9FO4S/c1-14-9(11)7-5-6(15(2,12)13)3-4-8(7)10/h3-5H,1-2H3

InChI Key:

HULWANKRMSPEGN-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(ccc1F)S(=O)(=O)C

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.225g/mol

Monoisotopic Mass:

232.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4