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7364-27-4 molecular structure
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5-bromo-2,3-dihydro-1H-indazol-3-one

ChemBase ID: 802383
Molecular Formular: C7H5BrN2O
Molecular Mass: 213.0314
Monoisotopic Mass: 211.95852479
SMILES and InChIs

SMILES:
c1(=O)[nH][nH]c2ccc(cc12)Br
Canonical SMILES:
Brc1ccc2c(c1)c(=O)[nH][nH]2
InChI:
InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11)
InChIKey:
LHZCARQYJVMUOK-UHFFFAOYSA-N

Cite this record

CBID:802383 http://www.chembase.cn/molecule-802383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2,3-dihydro-1H-indazol-3-one
IUPAC Traditional name
5-bromo-1,2-dihydroindazol-3-one
Synonyms
5-BROMO-1,2-DIHYDRO-3H-INDAZOL-3-ONE
CAS Number
7364-27-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18861 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18861 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 2.3710508  Log P 2.371596 
Molar Refractivity 46.3818 cm3 Polarizability 16.53312 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 10.292996 
H Acceptors H Donor
LogD (pH = 5.5) 2.3715878 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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