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1521464-02-7 | 5-iodo-2-(piperidin-1-yl)benzoic acid
CAS No: 1521464-02-7 Catalog No: AG01AN0F MDL No:MFCD23747636
Product Description
Catalog Number:
AG01AN0F
Chemical Name:
5-iodo-2-(piperidin-1-yl)benzoic acid
CAS Number:
1521464-02-7
Molecular Formula:
C12H14INO2
Molecular Weight:
331.1495
MDL Number:
MFCD23747636
IUPAC Name:
5-iodo-2-piperidin-1-ylbenzoic acid
InChI:
InChI=1S/C12H14INO2/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)
InChI Key:
IEIDVXRDWPWNJP-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)N1CCCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.153g/mol
Monoisotopic Mass:
331.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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