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102196-78-1 molecular structure
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1-chloro-7-methoxyphthalazine

ChemBase ID: 814209
Molecular Formular: C9H7ClN2O
Molecular Mass: 194.61768
Monoisotopic Mass: 194.02469053
SMILES and InChIs

SMILES:
c1c(cc2c(nncc2c1)Cl)OC
Canonical SMILES:
COc1ccc2c(c1)c(Cl)nnc2
InChI:
InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3
InChIKey:
SLDSSDJHOPSSSK-UHFFFAOYSA-N

Cite this record

CBID:814209 http://www.chembase.cn/molecule-814209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-7-methoxyphthalazine
IUPAC Traditional name
1-chloro-7-methoxyphthalazine
Synonyms
1-chloro-7-methoxyphthalazine
CAS Number
102196-78-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36359 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36359 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) 1.4317055  LogD (pH = 7.4) 1.4318292 
Log P 1.4318308  Molar Refractivity 52.5439 cm3
Polarizability 20.515621 Å3 Polar Surface Area 35.01 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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