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1234616-28-4 molecular structure
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7-bromo-1H-indazol-3-amine

ChemBase ID: 288511
Molecular Formular: C7H6BrN3
Molecular Mass: 212.04664
Monoisotopic Mass: 210.97450921
SMILES and InChIs

SMILES:
Nc1n[nH]c2c1cccc2Br
Canonical SMILES:
Brc1cccc2c1[nH]nc2N
InChI:
InChI=1S/C7H6BrN3/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H3,9,10,11)
InChIKey:
ADBDLGMVAZJRKR-UHFFFAOYSA-N

Cite this record

CBID:288511 http://www.chembase.cn/molecule-288511.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-1H-indazol-3-amine
IUPAC Traditional name
7-bromo-1H-indazol-3-amine
Synonyms
7-Bromo-1H-indazol-3-amine
CAS Number
1234616-28-4
PubChem SID
180674042
PubChem CID
57345825

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 57345825 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.4445305  H Acceptors
H Donor LogD (pH = 5.5) 1.8295504 
LogD (pH = 7.4) 1.8305787  Log P 1.8305919 
Molar Refractivity 48.7098 cm3 Polarizability 18.530107 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
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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