Name: Name:1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid
Brand: Angene
SKU: AG019IMN
Rating: 90 (10 reviews)

1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid

CAS No.:

321970-62-1

Catalog Number:

AG019IMN

Molecular Formula:

C12H14N2O6S

Molecular Weight:

314.3144

Catalog Number:

AG019IMN

Chemical Name:

1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid

CAS Number:

321970-62-1

Molecular Formula:

C12H14N2O6S

Molecular Weight:

314.3144

MDL Number:

MFCD00724638

IUPAC Name:

1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylic acid

InChI:

InChI=1S/C12H14N2O6S/c15-12(16)9-2-1-7-13(8-9)21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,9H,1-2,7-8H2,(H,15,16)

InChI Key:

NEGZMRXQWUTVEF-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

Complexity:

501

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.312g/mol

Monoisotopic Mass:

314.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9