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Home > Nitro Compounds > 251310-53-9
251310-53-9 | 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide
CAS No: 251310-53-9 Catalog No: AG00IMVZ MDL No:MFCD00180778
Product Description
Catalog Number:
AG00IMVZ
Chemical Name:
2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide
CAS Number:
251310-53-9
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
MDL Number:
MFCD00180778
IUPAC Name:
2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide
InChI:
InChI=1S/C13H16N4O3/c14-15-13(18)9-10-5-7-16(8-6-10)11-1-3-12(4-2-11)17(19)20/h1-4,9H,5-8,14H2,(H,15,18)
InChI Key:
QMDKUTCELXBNDR-UHFFFAOYSA-N
SMILES:
NNC(=O)C=C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
387
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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