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Home > Nitro Compounds > 288251-81-0
288251-81-0 | 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-5-nitrobenzonitrile
CAS No: 288251-81-0 Catalog No: AG00I5DN MDL No:MFCD09455438
Product Description
Catalog Number:
AG00I5DN
Chemical Name:
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-5-nitrobenzonitrile
CAS Number:
288251-81-0
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
MDL Number:
MFCD09455438
IUPAC Name:
2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzonitrile
InChI:
InChI=1S/C13H16N4O3/c14-10-11-9-12(17(19)20)1-2-13(11)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8H2
InChI Key:
LIJBPUOVLYUVRK-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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