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Home > Nitro Compounds > 1227935-27-4
1227935-27-4 | [1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol
CAS No: 1227935-27-4 Catalog No: AG01A8MF MDL No:MFCD12923062
Product Description
Catalog Number:
AG01A8MF
Chemical Name:
[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol
CAS Number:
1227935-27-4
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD12923062
IUPAC Name:
[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol
InChI:
InChI=1S/C11H15N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7,9,15H,3-6,8H2
InChI Key:
LJSPBMQDDUPONQ-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(cn1)[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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