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Home > Nitro Compounds > 1416351-93-3
1416351-93-3 | 1-(3-Methoxy-4-nitro-phenyl)-4-methyl-piperidine
CAS No: 1416351-93-3 Catalog No: AG01ETSO MDL No:MFCD22577295
Product Description
Catalog Number:
AG01ETSO
Chemical Name:
1-(3-Methoxy-4-nitro-phenyl)-4-methyl-piperidine
CAS Number:
1416351-93-3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD22577295
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)-4-methylpiperidine
InChI:
InChI=1S/C13H18N2O3/c1-10-5-7-14(8-6-10)11-3-4-12(15(16)17)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
POBPBHGEEAKUOV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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