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19337-60-1 | 3-Iodcatechol
CAS No: 19337-60-1 Catalog No: AG00AR4I MDL No:MFCD18072901
Product Description
Catalog Number:
AG00AR4I
Chemical Name:
3-Iodcatechol
CAS Number:
19337-60-1
Molecular Formula:
C6H5IO2
Molecular Weight:
236.0072
MDL Number:
MFCD18072901
IUPAC Name:
3-iodobenzene-1,2-diol
InChI:
InChI=1S/C6H5IO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChI Key:
HUMAHCJCCNMIGP-UHFFFAOYSA-N
SMILES:
Oc1c(O)cccc1I
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.933g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.008g/mol
Monoisotopic Mass:
235.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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