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470484-70-9 molecular structure
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6-bromo-1-chlorophthalazine

ChemBase ID: 804749
Molecular Formular: C8H4BrClN2
Molecular Mass: 243.48776
Monoisotopic Mass: 241.92463782
SMILES and InChIs

SMILES:
c1(ccc2c(nncc2c1)Cl)Br
Canonical SMILES:
Brc1ccc2c(c1)cnnc2Cl
InChI:
InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H
InChIKey:
GHENEHYQUQKATD-UHFFFAOYSA-N

Cite this record

CBID:804749 http://www.chembase.cn/molecule-804749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-1-chlorophthalazine
IUPAC Traditional name
6-bromo-1-chlorophthalazine
Synonyms
6-BROMO-1-CHLORO-PHTHALAZINE
CAS Number
470484-70-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21912 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21912 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3582523  LogD (pH = 7.4) 2.3582547 
Log P 2.3582547  Molar Refractivity 53.7035 cm3
Polarizability 20.791397 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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