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26059-41-6 | Benzenepropanol, 2-iodo-
CAS No: 26059-41-6 Catalog No: AG002RJS MDL No:
Product Description
Catalog Number:
AG002RJS
Chemical Name:
Benzenepropanol, 2-iodo-
CAS Number:
26059-41-6
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
IUPAC Name:
3-(2-iodophenyl)propan-1-ol
InChI:
InChI=1S/C9H11IO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChI Key:
RMHUFAVKFGGBTF-UHFFFAOYSA-N
SMILES:
OCCCc1ccccc1I
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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