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118000-41-2 molecular structure
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2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine

ChemBase ID: 306775
Molecular Formular: C9H9ClN2
Molecular Mass: 180.63416
Monoisotopic Mass: 180.04542598
SMILES and InChIs

SMILES:
c12n(cc(n1)CCl)ccc(c2)C
Canonical SMILES:
ClCc1cn2c(n1)cc(cc2)C
InChI:
InChI=1S/C9H9ClN2/c1-7-2-3-12-6-8(5-10)11-9(12)4-7/h2-4,6H,5H2,1H3
InChIKey:
AFFYGLUVFNCIKY-UHFFFAOYSA-N

Cite this record

CBID:306775 http://www.chembase.cn/molecule-306775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
IUPAC Traditional name
2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
Synonyms
2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
CAS Number
118000-41-2
MDL Number
MFCD06739275

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3903943  LogD (pH = 7.4) 1.926818 
Log P 1.9416848  Molar Refractivity 50.3223 cm3
Polarizability 18.708824 Å3 Polar Surface Area 17.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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