IOB

3-IODO-BENZYL ALCOHOL

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where IOB is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of IOB

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Chemical Component Summary
Name	3-IODO-BENZYL ALCOHOL
Systematic Name (OpenEye OEToolkits)	(3-iodophenyl)methanol
Formula	C₇ H₇ I O
Molecular Weight	234.034
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1cc(ccc1)CO
SMILES	CACTVS	3.341	OCc1cccc(I)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)I)CO
Canonical SMILES	CACTVS	3.341	OCc1cccc(I)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)I)CO
InChI	InChI	1.03	InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey	InChI	1.03	QGCCNWSXJHGUNL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03339
Name	3-Iodo-Benzyl Alcohol
Groups	experimental
Synonyms	3-Iodo-Benzyl Alcohol

Related Resource References

Resource Name	Reference
PubChem	42300

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