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Home > Nitro Compounds > 923224-91-3
923224-91-3 | 1-[5-(4-methylpiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS No: 923224-91-3 Catalog No: AG00IWCN MDL No:MFCD08064703
Product Description
Catalog Number:
AG00IWCN
Chemical Name:
1-[5-(4-methylpiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS Number:
923224-91-3
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD08064703
IUPAC Name:
1-[5-(4-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
InChI:
InChI=1S/C14H18N2O3/c1-10-5-7-15(8-6-10)12-3-4-14(16(18)19)13(9-12)11(2)17/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
MPPNLICUEALUGN-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(c(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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