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136927-64-5 molecular structure
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1-chloropyrrolo[1,2-a]pyrazine

ChemBase ID: 64932
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
n1ccn2c(c1Cl)ccc2
Canonical SMILES:
Clc1nccn2c1ccc2
InChI:
InChI=1S/C7H5ClN2/c8-7-6-2-1-4-10(6)5-3-9-7/h1-5H
InChIKey:
UECDOWHLPZJHSY-UHFFFAOYSA-N

Cite this record

CBID:64932 http://www.chembase.cn/molecule-64932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloropyrrolo[1,2-a]pyrazine
IUPAC Traditional name
1-chloropyrrolo[1,2-a]pyrazine
Synonyms
1-Chloro-1H-pyrrolo[1,2-a]pyrazine
1-Chloropyrrolo[1,2-a]pyrazine
CAS Number
136927-64-5
MDL Number
MFCD12400782
PubChem SID
162030671
PubChem CID
15662089

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15662089 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2163092  LogD (pH = 7.4) 1.2163092 
Log P 1.2163092  Molar Refractivity 41.8499 cm3
Polarizability 15.90198 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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