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651022-26-3 | 1-(4-IODOBENZYL)PIPERIDINE
CAS No: 651022-26-3 Catalog No: AG00EE6S MDL No:MFCD06797859
Product Description
Catalog Number:
AG00EE6S
Chemical Name:
1-(4-IODOBENZYL)PIPERIDINE
CAS Number:
651022-26-3
Molecular Formula:
C12H16IN
Molecular Weight:
301.1666
MDL Number:
MFCD06797859
IUPAC Name:
1-[(4-iodophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16IN/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChI Key:
UBTQOFNYBSZILI-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CN1CCCCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.171g/mol
Monoisotopic Mass:
301.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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