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1196147-05-3 molecular structure
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2-chloro-5-(propan-2-yl)pyrazine

ChemBase ID: 814399
Molecular Formular: C7H9ClN2
Molecular Mass: 156.61276
Monoisotopic Mass: 156.04542598
SMILES and InChIs

SMILES:
c1c(ncc(n1)C(C)C)Cl
Canonical SMILES:
CC(c1ncc(nc1)Cl)C
InChI:
InChI=1S/C7H9ClN2/c1-5(2)6-3-10-7(8)4-9-6/h3-5H,1-2H3
InChIKey:
XMZOJJZBMMEBQW-UHFFFAOYSA-N

Cite this record

CBID:814399 http://www.chembase.cn/molecule-814399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-(propan-2-yl)pyrazine
IUPAC Traditional name
2-chloro-5-isopropylpyrazine
Synonyms
2-chloro-5-isopropylpyrazine
CAS Number
1196147-05-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36563 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36563 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) 1.7370136  LogD (pH = 7.4) 1.7370151 
Log P 1.7370151  Molar Refractivity 41.4032 cm3
Polarizability 15.935824 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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