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874114-34-8 molecular structure
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6-chloropyrazine-2-carbaldehyde

ChemBase ID: 288929
Molecular Formular: C5H3ClN2O
Molecular Mass: 142.54312
Monoisotopic Mass: 141.99339041
SMILES and InChIs

SMILES:
Clc1nc(C=O)cnc1
Canonical SMILES:
Clc1cncc(n1)C=O
InChI:
InChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H
InChIKey:
NWLIHAPBHUZMAD-UHFFFAOYSA-N

Cite this record

CBID:288929 http://www.chembase.cn/molecule-288929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyrazine-2-carbaldehyde
IUPAC Traditional name
6-chloropyrazine-2-carbaldehyde
Synonyms
6-Chloropyrazine-2-carbaldehyde
CAS Number
874114-34-8
MDL Number
MFCD10698568
PubChem SID
180674460
PubChem CID
11693922

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11693922 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7491682  LogD (pH = 7.4) 0.7491683 
Log P 0.7491683  Molar Refractivity 33.8091 cm3
Polarizability 12.486346 Å3 Polar Surface Area 42.85 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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