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773869-57-1 molecular structure
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5-(hydroxymethyl)-2-iodophenol

ChemBase ID: 92181
Molecular Formular: C7H7IO2
Molecular Mass: 250.03375
Monoisotopic Mass: 249.94907746
SMILES and InChIs

SMILES:
Ic1c(cc(cc1)CO)O
Canonical SMILES:
OCc1ccc(c(c1)O)I
InChI:
InChI=1S/C7H7IO2/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4H2
InChIKey:
VIWWSAGABDIIFF-UHFFFAOYSA-N

Cite this record

CBID:92181 http://www.chembase.cn/molecule-92181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(hydroxymethyl)-2-iodophenol
IUPAC Traditional name
5-(hydroxymethyl)-2-iodophenol
Synonyms
5-(hydroxymethyl)-2-iodophenol
3-Hydroxy-4-iodobenzyl alcohol
(3-Hydroxy-4-iodophenyl)methanol
5-(Hydroxymethyl)-2-iodophenol 97%
CAS Number
773869-57-1
MDL Number
MFCD06202863
PubChem SID
162078879
PubChem CID
18525941

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525941 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.246645  H Acceptors
H Donor LogD (pH = 5.5) 1.8305029 
LogD (pH = 7.4) 1.7738943  Log P 1.8312752 
Molar Refractivity 48.2173 cm3 Polarizability 18.66861 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
147.5-148.5°C expand Show data source
Storage Warning
Harmful expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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