Name: Name:4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate
Brand: Angene
SKU: AG002ZZ3
Rating: 90 (10 reviews)

4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate

CAS No.:

303977-18-6

Catalog Number:

AG002ZZ3

Molecular Formula:

C12H16N2O5S

Molecular Weight:

300.3308

Catalog Number:

AG002ZZ3

Chemical Name:

4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate

CAS Number:

303977-18-6

Molecular Formula:

C12H16N2O5S

Molecular Weight:

300.3308

MDL Number:

MFCD28405561

IUPAC Name:

[1-(4-nitrophenyl)piperidin-4-yl] methanesulfonate

InChI:

InChI=1S/C12H16N2O5S/c1-20(17,18)19-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5,12H,6-9H2,1H3

InChI Key:

XEXKLYWORMEHAP-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)N1CCC(CC1)OS(=O)(=O)C

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.329g/mol

Monoisotopic Mass:

300.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9