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Home > Nitro Compounds > 138227-67-5
138227-67-5 | Piperidine, 4-(2-methyl-4-nitrophenoxy)-, hydrochloride (1:1)
CAS No: 138227-67-5 Catalog No: AG0018C4 MDL No:MFCD06658484
Product Description
Catalog Number:
AG0018C4
Chemical Name:
Piperidine, 4-(2-methyl-4-nitrophenoxy)-, hydrochloride (1:1)
CAS Number:
138227-67-5
Molecular Formula:
C12H17ClN2O3
Molecular Weight:
272.7280
MDL Number:
MFCD06658484
IUPAC Name:
4-(2-methyl-4-nitrophenoxy)piperidine;hydrochloride
InChI:
InChI=1S/C12H16N2O3.ClH/c1-9-8-10(14(15)16)2-3-12(9)17-11-4-6-13-7-5-11;/h2-3,8,11,13H,4-7H2,1H3;1H
InChI Key:
AVUNZTIFACHLNF-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OC1CCNCC1)[N+](=O)[O-].Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.729g/mol
Monoisotopic Mass:
272.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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