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126504-86-7 molecular structure
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5-(chloromethyl)-2-methylpyrimidine

ChemBase ID: 287473
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
Cc1ncc(CCl)cn1
Canonical SMILES:
ClCc1cnc(nc1)C
InChI:
InChI=1S/C6H7ClN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3
InChIKey:
GHFAUTJRYNSYHR-UHFFFAOYSA-N

Cite this record

CBID:287473 http://www.chembase.cn/molecule-287473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(chloromethyl)-2-methylpyrimidine
IUPAC Traditional name
5-(chloromethyl)-2-methylpyrimidine
Synonyms
5-(Chloromethyl)-2-methylpyrimidine
CAS Number
126504-86-7
MDL Number
MFCD09879705
PubChem SID
180673004
PubChem CID
14686699

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14686699 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1732572  LogD (pH = 7.4) 1.1735173 
Log P 1.1735207  Molar Refractivity 37.2136 cm3
Polarizability 13.98389 Å3 Polar Surface Area 25.78 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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