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Home > Nitro Compounds > 91558-67-7
91558-67-7 | 1-(4-Methyl-3-nitrobenzenesulfonyl)piperidine
CAS No: 91558-67-7 Catalog No: AG00IGRD MDL No:MFCD00577549
Product Description
Catalog Number:
AG00IGRD
Chemical Name:
1-(4-Methyl-3-nitrobenzenesulfonyl)piperidine
CAS Number:
91558-67-7
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD00577549
IUPAC Name:
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
InChI:
InChI=1S/C12H16N2O4S/c1-10-5-6-11(9-12(10)14(15)16)19(17,18)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
PCGFEOXSDDGDMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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