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Home > Nitro Compounds > 1458615-92-3
1458615-92-3 | 1-(3-nitrobenzyl)piperazine hydrochloride
CAS No: 1458615-92-3 Catalog No: AG00J3QM MDL No:MFCD13186543
Product Description
Catalog Number:
AG00J3QM
Chemical Name:
1-(3-nitrobenzyl)piperazine hydrochloride
CAS Number:
1458615-92-3
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
MDL Number:
MFCD13186543
IUPAC Name:
1-[(3-nitrophenyl)methyl]piperazine;hydrochloride
InChI:
InChI=1S/C11H15N3O2.ClH/c15-14(16)11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;/h1-3,8,12H,4-7,9H2;1H
InChI Key:
OVVDYGYSNSCOEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCNCC1.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.718g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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