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859850-87-6 | Piperidine,1-[(3-iodophenyl)methyl]-
CAS No: 859850-87-6 Catalog No: AG004Q44 MDL No:MFCD06797854
Product Description
Catalog Number:
AG004Q44
Chemical Name:
Piperidine,1-[(3-iodophenyl)methyl]-
CAS Number:
859850-87-6
Molecular Formula:
C12H16IN
Molecular Weight:
301.1666
MDL Number:
MFCD06797854
IUPAC Name:
1-[(3-iodophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16IN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChI Key:
DCRZUICHKJGHQK-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)CN1CCCCC1
Properties
Complexity:
166
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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