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Home > Nitro Compounds > 26163-44-0
26163-44-0 | Methanone, (2-nitrophenyl)-1-piperidinyl-
CAS No: 26163-44-0 Catalog No: AG002RXX MDL No:MFCD00596539
Product Description
Catalog Number:
AG002RXX
Chemical Name:
Methanone, (2-nitrophenyl)-1-piperidinyl-
CAS Number:
26163-44-0
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD00596539
IUPAC Name:
(2-nitrophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H14N2O3/c15-12(13-8-4-1-5-9-13)10-6-2-3-7-11(10)14(16)17/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
QFRDNSHELUDVAL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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