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701910-14-7 molecular structure
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7-bromo-2-methyl-2H-indazole

ChemBase ID: 64338
Molecular Formular: C8H7BrN2
Molecular Mass: 211.05858
Monoisotopic Mass: 209.97926023
SMILES and InChIs

SMILES:
c12c(cn(n1)C)cccc2Br
Canonical SMILES:
Cn1cc2c(n1)c(Br)ccc2
InChI:
InChI=1S/C8H7BrN2/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-5H,1H3
InChIKey:
KPAYIFGPJOYWMM-UHFFFAOYSA-N

Cite this record

CBID:64338 http://www.chembase.cn/molecule-64338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-2-methyl-2H-indazole
IUPAC Traditional name
7-bromo-2-methylindazole
Synonyms
7-Bromo-2-methyl-2H-indazole
CAS Number
701910-14-7
MDL Number
MFCD09870049
PubChem SID
162030077
PubChem CID
21094580

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5451806  LogD (pH = 7.4) 2.5451856 
Log P 2.5451856  Molar Refractivity 58.6624 cm3
Polarizability 19.127346 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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