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Home > Nitro Compounds > 747354-44-5
747354-44-5 | 2-[4-(5-NITROPYRIDIN-2-YL)PIPERAZIN-1-YL]ETHANOL
CAS No: 747354-44-5 Catalog No: AG00FERN MDL No:MFCD08692461
Product Description
Catalog Number:
AG00FERN
Chemical Name:
2-[4-(5-NITROPYRIDIN-2-YL)PIPERAZIN-1-YL]ETHANOL
CAS Number:
747354-44-5
Molecular Formula:
C11H16N4O3
Molecular Weight:
252.2697
MDL Number:
MFCD08692461
IUPAC Name:
2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C11H16N4O3/c16-8-7-13-3-5-14(6-4-13)11-2-1-10(9-12-11)15(17)18/h1-2,9,16H,3-8H2
InChI Key:
JNPCLGYWUHYNLR-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.274g/mol
Monoisotopic Mass:
252.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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