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Home > Nitro Compounds > 706767-38-6
706767-38-6 | Piperidine, 3,5-dimethyl-1-(5-nitro-2-thienyl)-
CAS No: 706767-38-6 Catalog No: AG005GV0 MDL No:
Product Description
Catalog Number:
AG005GV0
Chemical Name:
Piperidine, 3,5-dimethyl-1-(5-nitro-2-thienyl)-
CAS Number:
706767-38-6
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
IUPAC Name:
3,5-dimethyl-1-(5-nitrothiophen-2-yl)piperidine
InChI:
InChI=1S/C11H16N2O2S/c1-8-5-9(2)7-12(6-8)10-3-4-11(16-10)13(14)15/h3-4,8-9H,5-7H2,1-2H3
InChI Key:
WTOIWNSYVHWPNM-UHFFFAOYSA-N
SMILES:
CC1CC(C)CN(C1)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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