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955396-59-5 | Ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CAS No: 955396-59-5 Catalog No: AG01F9YO MDL No:
Product Description
Catalog Number:
AG01F9YO
Chemical Name:
Ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CAS Number:
955396-59-5
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
InChI:
InChI=1S/C14H18N2O4/c1-2-20-14(17)11-7-9-15(10-8-11)12-5-3-4-6-13(12)16(18)19/h3-6,11H,2,7-10H2,1H3
InChI Key:
VMUDBYWWBRXWSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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