200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 303977-18-6
303977-18-6 | 4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate
CAS No: 303977-18-6 Catalog No: AG002ZZ3 MDL No:MFCD28405561
Product Description
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
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.