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177971-47-0 | Ethyl 1-(4-Nitro-benzyl)-piperidine-4-carboxylate
CAS No: 177971-47-0 Catalog No: AG01F9CZ MDL No:MFCD00811067
Product Description
Catalog Number:
AG01F9CZ
Chemical Name:
Ethyl 1-(4-Nitro-benzyl)-piperidine-4-carboxylate
CAS Number:
177971-47-0
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
MDL Number:
MFCD00811067
IUPAC Name:
ethyl 1-[(4-nitrophenyl)methyl]piperidine-4-carboxylate
InChI:
InChI=1S/C15H20N2O4/c1-2-21-15(18)13-7-9-16(10-8-13)11-12-3-5-14(6-4-12)17(19)20/h3-6,13H,2,7-11H2,1H3
InChI Key:
NRGBVJPPBFDBRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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