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1131614-59-9 | 3-Iodo-4-(2-methylpiperidin-1-yl)benzoic acid
CAS No: 1131614-59-9 Catalog No: AG00HCMS MDL No:
Product Description
Catalog Number:
AG00HCMS
Chemical Name:
3-Iodo-4-(2-methylpiperidin-1-yl)benzoic acid
CAS Number:
1131614-59-9
IUPAC Name:
3-iodo-4-(2-methylpiperidin-1-yl)benzoic acid
InChI:
InChI=1S/C13H16INO2/c1-9-4-2-3-7-15(9)12-6-5-10(13(16)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChI Key:
CTQVEGJPJVTGPH-UHFFFAOYSA-N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.18g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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