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Home > Nitro Compounds > 105072-35-3
105072-35-3 | Piperidine, 1-[(4-nitrophenyl)acetyl]-
CAS No: 105072-35-3 Catalog No: AG00HAKS MDL No:MFCD00587415
Product Description
Catalog Number:
AG00HAKS
Chemical Name:
Piperidine, 1-[(4-nitrophenyl)acetyl]-
CAS Number:
105072-35-3
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD00587415
IUPAC Name:
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
InChI:
InChI=1S/C13H16N2O3/c16-13(14-8-2-1-3-9-14)10-11-4-6-12(7-5-11)15(17)18/h4-7H,1-3,8-10H2
InChI Key:
FDMKTLRBJSCSDE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
300
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:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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