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30742-63-3 | Benzaldehyde, 2-(4-methyl-1-piperazinyl)-5-nitro-
CAS No: 30742-63-3 Catalog No: AG00314F MDL No:MFCD00431681
Product Description
Catalog Number:
AG00314F
Chemical Name:
Benzaldehyde, 2-(4-methyl-1-piperazinyl)-5-nitro-
CAS Number:
30742-63-3
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD00431681
IUPAC Name:
2-(4-methylpiperazin-1-yl)-5-nitrobenzaldehyde
InChI:
InChI=1S/C12H15N3O3/c1-13-4-6-14(7-5-13)12-3-2-11(15(17)18)8-10(12)9-16/h2-3,8-9H,4-7H2,1H3
InChI Key:
HFZHSQQYSJEZPT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1N1CCN(CC1)C)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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