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Home > Nitro Compounds > 349089-30-1
349089-30-1 | 2-methyl-1-(4-nitrobenzoyl)piperidine
CAS No: 349089-30-1 Catalog No: AG00JGOO MDL No:MFCD01211873
Product Description
Catalog Number:
AG00JGOO
Chemical Name:
2-methyl-1-(4-nitrobenzoyl)piperidine
CAS Number:
349089-30-1
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD01211873
IUPAC Name:
(2-methylpiperidin-1-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H16N2O3/c1-10-4-2-3-9-14(10)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,2-4,9H2,1H3
InChI Key:
NEJWOMPFLAWSBD-UHFFFAOYSA-N
SMILES:
CC1CCCCN1C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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