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76464-88-5 | 1-[(2-iodophenyl)methyl]piperidine
CAS No: 76464-88-5 Catalog No: AG00NFRA MDL No:MFCD06797849
Product Description
Catalog Number:
AG00NFRA
Chemical Name:
1-[(2-iodophenyl)methyl]piperidine
CAS Number:
76464-88-5
Molecular Formula:
C12H16IN
Molecular Weight:
301.1666
MDL Number:
MFCD06797849
IUPAC Name:
1-[(2-iodophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16IN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
OBPRBFCDPRYNIP-UHFFFAOYSA-N
SMILES:
Ic1ccccc1CN1CCCCC1
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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