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72299-58-2 | (5-Iodopyridin-3-yl)methanol
CAS No: 72299-58-2 Catalog No: AG005IDX MDL No:MFCD08457775
Product Description
Catalog Number:
AG005IDX
Chemical Name:
(5-Iodopyridin-3-yl)methanol
CAS Number:
72299-58-2
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
MDL Number:
MFCD08457775
IUPAC Name:
(5-iodopyridin-3-yl)methanol
InChI:
InChI=1S/C6H6INO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
InChI Key:
MAESWHLLEUUMGK-UHFFFAOYSA-N
SMILES:
OCc1cc(I)cnc1
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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