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1909318-94-0 | 5-iodo-2-(piperidin-1-yl)benzoic acid hydrochloride
CAS No: 1909318-94-0 Catalog No: AG01C3GT MDL No:MFCD29060453
Product Description
Catalog Number:
AG01C3GT
Chemical Name:
5-iodo-2-(piperidin-1-yl)benzoic acid hydrochloride
CAS Number:
1909318-94-0
Molecular Formula:
C12H15ClINO2
Molecular Weight:
367.6105
MDL Number:
MFCD29060453
IUPAC Name:
5-iodo-2-piperidin-1-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C12H14INO2.ClH/c13-9-4-5-11(10(8-9)12(15)16)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7H2,(H,15,16);1H
InChI Key:
OVBAUSFMWSGYCU-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)N1CCCCC1.Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.611g/mol
Monoisotopic Mass:
366.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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