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1060817-10-8 molecular structure
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5-fluoro-3-iodo-1-methyl-1H-indazole

ChemBase ID: 99914
Molecular Formular: C8H6FIN2
Molecular Mass: 276.0495132
Monoisotopic Mass: 275.95597442
SMILES and InChIs

SMILES:
n1c(c2cc(ccc2n1C)F)I
Canonical SMILES:
Fc1ccc2c(c1)c(I)nn2C
InChI:
InChI=1S/C8H6FIN2/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3
InChIKey:
KUIFBOPEQAMZJO-UHFFFAOYSA-N

Cite this record

CBID:99914 http://www.chembase.cn/molecule-99914.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-3-iodo-1-methyl-1H-indazole
IUPAC Traditional name
5-fluoro-3-iodo-1-methylindazole
Synonyms
5-Fluoro-3-iodo-1-methyl-1H-indazole
CAS Number
1060817-10-8
MDL Number
MFCD11053924
PubChem SID
162086160
PubChem CID
28064804

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28064804 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5242171  LogD (pH = 7.4) 2.5242178 
Log P 2.5242178  Molar Refractivity 64.5761 cm3
Polarizability 21.359312 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Light Sensitive/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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