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Home > Nitro Compounds > 1235440-20-6
1235440-20-6 | [1-(3-nitropyridin-2-yl)piperidin-4-yl]methanol
CAS No: 1235440-20-6 Catalog No: AG01A8HQ MDL No:MFCD13242900
Product Description
Catalog Number:
AG01A8HQ
Chemical Name:
[1-(3-nitropyridin-2-yl)piperidin-4-yl]methanol
CAS Number:
1235440-20-6
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD13242900
IUPAC Name:
[1-(3-nitropyridin-2-yl)piperidin-4-yl]methanol
InChI:
InChI=1S/C11H15N3O3/c15-8-9-3-6-13(7-4-9)11-10(14(16)17)2-1-5-12-11/h1-2,5,9,15H,3-4,6-8H2
InChI Key:
DATSLEILKRNRMZ-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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