Name: Name:1-(3-chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019OLQ
Rating: 90 (10 reviews)

1-(3-chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:

869472-74-2

Catalog Number:

AG019OLQ

Molecular Formula:

C12H13ClFNO4S

Molecular Weight:

321.7523

Catalog Number:

AG019OLQ

Chemical Name:

1-(3-chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid

CAS Number:

869472-74-2

Molecular Formula:

C12H13ClFNO4S

Molecular Weight:

321.7523

MDL Number:

MFCD07345680

IUPAC Name:

1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C12H13ClFNO4S/c13-10-7-9(1-2-11(10)14)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)

InChI Key:

GHCKUEBYHJNTNM-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)F

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.747g/mol

Monoisotopic Mass:

321.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8