Name: Name:4-fluoro-3-(pyrrolidine-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG019M7E
Rating: 90 (10 reviews)

4-fluoro-3-(pyrrolidine-1-sulfonyl)benzoic acid

CAS No.:

361157-90-6

Catalog Number:

AG019M7E

Molecular Formula:

C11H12FNO4S

Molecular Weight:

273.2807

Catalog Number:

AG019M7E

Chemical Name:

4-fluoro-3-(pyrrolidine-1-sulfonyl)benzoic acid

CAS Number:

361157-90-6

Molecular Formula:

C11H12FNO4S

Molecular Weight:

273.2807

MDL Number:

MFCD02652975

IUPAC Name:

4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C11H12FNO4S/c12-9-4-3-8(11(14)15)7-10(9)18(16,17)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)

InChI Key:

OXKJLWGJCRQKTM-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCC1)F

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.278g/mol

Monoisotopic Mass:

273.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2