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937047-36-4 molecular structure
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6-chloro-5-fluoro-1H-indazole

ChemBase ID: 63414
Molecular Formular: C7H4ClFN2
Molecular Mass: 170.5714632
Monoisotopic Mass: 170.00470404
SMILES and InChIs

SMILES:
c1(c(Cl)cc2c(cn[nH]2)c1)F
Canonical SMILES:
Clc1cc2[nH]ncc2cc1F
InChI:
InChI=1S/C7H4ClFN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11)
InChIKey:
LUVOCMOTTTUYOQ-UHFFFAOYSA-N

Cite this record

CBID:63414 http://www.chembase.cn/molecule-63414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-fluoro-1H-indazole
IUPAC Traditional name
6-chloro-5-fluoro-1H-indazole
Synonyms
6-Chloro-5-fluoroindazole
CAS Number
937047-36-4
MDL Number
MFCD15071448
PubChem SID
162029153
PubChem CID
58529904

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 58529904 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.400207  H Acceptors
H Donor LogD (pH = 5.5) 2.0430255 
LogD (pH = 7.4) 2.0430536  Log P 2.0430543 
Molar Refractivity 41.0943 cm3 Polarizability 16.21478 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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