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Home > Nitro Compounds > 20857-92-5
20857-92-5 | Methanone, (4-nitrophenyl)-1-piperidinyl-
CAS No: 20857-92-5 Catalog No: AG002JRP MDL No:MFCD00444400
Product Description
Catalog Number:
AG002JRP
Chemical Name:
Methanone, (4-nitrophenyl)-1-piperidinyl-
CAS Number:
20857-92-5
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD00444400
IUPAC Name:
(4-nitrophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H14N2O3/c15-12(13-8-2-1-3-9-13)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3,8-9H2
InChI Key:
CAKBAYWOHIUVHR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCCC1
NSC Number:
14878
Properties
Complexity:
287
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:
2.1
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