4-(2-Butynyloxy)-6-chloropyrimidine

HCID 12137602CAS 405930-64-5
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Basic information

Standard SMILES
CC#CCOc1cc(Cl)ncn1
InChIKey
GEGGIEGNUJVDJB-UHFFFAOYSA-N
Molecular formula
C8H7ClN2O
Average molar mass
182.61 g/mol
Monoisotopic mass
182.02469052

Names & identifiers

Preferred name
4-(2-Butynyloxy)-6-chloropyrimidine
IUPAC
4-but-2-ynoxy-6-chloropyrimidine

Names & synonyms

4-(2-butynyloxy)-6-chloropyrimidine405930-64-5SCHEMBL83513DTXSID40478300GEGGIEGNUJVDJB-UHFFFAOYSA-N4-chloro-6-(2-butynyloxy)pyrimidine4-chloro-6-(2-butynyloxy) pyrimidine4-[(But-2-yn-1-yl)oxy]-6-chloropyrimidine

Database identifiers

CAS
405930-64-5
PubChem CID
12137602
DTXSID
DTXSID40478300

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Related reactions

239 records
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Linked notes

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