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1197943-62-6 molecular structure
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5-bromo-3-propyl-1H-indazole

ChemBase ID: 291566
Molecular Formular: C10H11BrN2
Molecular Mass: 239.11174
Monoisotopic Mass: 238.01056036
SMILES and InChIs

SMILES:
CCCc1n[nH]c2c1cc(Br)cc2
Canonical SMILES:
CCCc1n[nH]c2c1cc(Br)cc2
InChI:
InChI=1S/C10H11BrN2/c1-2-3-9-8-6-7(11)4-5-10(8)13-12-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKey:
JLJODUUBUCVUKP-UHFFFAOYSA-N

Cite this record

CBID:291566 http://www.chembase.cn/molecule-291566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-propyl-1H-indazole
IUPAC Traditional name
5-bromo-3-propyl-1H-indazole
Synonyms
5-Bromo-3-propyl-1H-indazole
CAS Number
1197943-62-6
MDL Number
MFCD19684136
PubChem SID
180677097
PubChem CID
54759035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231512 Please log in.
Data Source Data ID
PubChem 54759035 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.171273  H Acceptors
H Donor LogD (pH = 5.5) 3.3414044 
LogD (pH = 7.4) 3.3415332  Log P 3.341535 
Molar Refractivity 57.5153 cm3 Polarizability 22.768152 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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