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885275-00-3 | Benzyl 4-iodopiperidine-1-carboxylate
CAS No: 885275-00-3 Catalog No: AG00471P MDL No:MFCD04115043
Product Description
Catalog Number:
AG00471P
Chemical Name:
Benzyl 4-iodopiperidine-1-carboxylate
CAS Number:
885275-00-3
Molecular Formula:
C13H16INO2
Molecular Weight:
345.1761
MDL Number:
MFCD04115043
IUPAC Name:
benzyl 4-iodopiperidine-1-carboxylate
InChI:
InChI=1S/C13H16INO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
MSRXUEGQXJQJJX-UHFFFAOYSA-N
SMILES:
IC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.18g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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