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Home > Nitro Compounds > 303994-60-7
303994-60-7 | 1-(4-nitrobenzoyl)piperidine-4-carbonitrile
CAS No: 303994-60-7 Catalog No: AG00INHF MDL No:MFCD01568846
Product Description
Catalog Number:
AG00INHF
Chemical Name:
1-(4-nitrobenzoyl)piperidine-4-carbonitrile
CAS Number:
303994-60-7
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD01568846
IUPAC Name:
1-(4-nitrobenzoyl)piperidine-4-carbonitrile
InChI:
InChI=1S/C13H13N3O3/c14-9-10-5-7-15(8-6-10)13(17)11-1-3-12(4-2-11)16(18)19/h1-4,10H,5-8H2
InChI Key:
VGQARGKOFZTDRJ-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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