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Home > Nitro Compounds > 15822-78-3
15822-78-3 | Piperidine, 2-methyl-1-(2-nitrophenyl)-
CAS No: 15822-78-3 Catalog No: AG001Q2F MDL No:
Product Description
Catalog Number:
AG001Q2F
Chemical Name:
Piperidine, 2-methyl-1-(2-nitrophenyl)-
CAS Number:
15822-78-3
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-methyl-1-(2-nitrophenyl)piperidine
InChI:
InChI=1S/C12H16N2O2/c1-10-6-4-5-9-13(10)11-7-2-3-8-12(11)14(15)16/h2-3,7-8,10H,4-6,9H2,1H3
InChI Key:
OWNIXNNFBXFZPJ-UHFFFAOYSA-N
SMILES:
CC1CCCCN1c1ccccc1[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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