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Home > Nitro Compounds > 89026-64-2
89026-64-2 | 1-Piperazinecarbonitrile, 4-(4-nitrophenyl)-
CAS No: 89026-64-2 Catalog No: AG0044BV MDL No:
Product Description
Catalog Number:
AG0044BV
Chemical Name:
1-Piperazinecarbonitrile, 4-(4-nitrophenyl)-
CAS Number:
89026-64-2
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
IUPAC Name:
4-(4-nitrophenyl)piperazine-1-carbonitrile
InChI:
InChI=1S/C11H12N4O2/c12-9-13-5-7-14(8-6-13)10-1-3-11(4-2-10)15(16)17/h1-4H,5-8H2
InChI Key:
OGRBZHPSUTZHBS-UHFFFAOYSA-N
SMILES:
N#CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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