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Home > Nitro Compounds > 866150-81-4
866150-81-4 | 1-(2,4-dinitrophenyl)-4-phenylpiperidine
CAS No: 866150-81-4 Catalog No: AG00IT5F MDL No:MFCD05669097
Product Description
Catalog Number:
AG00IT5F
Chemical Name:
1-(2,4-dinitrophenyl)-4-phenylpiperidine
CAS Number:
866150-81-4
Molecular Formula:
C17H17N3O4
Molecular Weight:
327.3346
MDL Number:
MFCD05669097
IUPAC Name:
1-(2,4-dinitrophenyl)-4-phenylpiperidine
InChI:
InChI=1S/C17H17N3O4/c21-19(22)15-6-7-16(17(12-15)20(23)24)18-10-8-14(9-11-18)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChI Key:
HFDHJBJMACUQKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCC(CC1)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.34g/mol
Monoisotopic Mass:
327.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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