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Home > Nitro Compounds > 349089-41-4
349089-41-4 | 2,6-dimethyl-1-(2-nitrobenzoyl)piperidine
CAS No: 349089-41-4 Catalog No: AG00JGQJ MDL No:MFCD00583692
Product Description
Catalog Number:
AG00JGQJ
Chemical Name:
2,6-dimethyl-1-(2-nitrobenzoyl)piperidine
CAS Number:
349089-41-4
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD00583692
IUPAC Name:
(2,6-dimethylpiperidin-1-yl)-(2-nitrophenyl)methanone
InChI:
InChI=1S/C14H18N2O3/c1-10-6-5-7-11(2)15(10)14(17)12-8-3-4-9-13(12)16(18)19/h3-4,8-11H,5-7H2,1-2H3
InChI Key:
YXKQKCSGTPZICT-UHFFFAOYSA-N
SMILES:
CC1CCCC(N1C(=O)c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
343
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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