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91183-17-4 molecular structure
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5-(benzyloxy)-2,4-dichloropyrimidine

ChemBase ID: 288960
Molecular Formular: C11H8Cl2N2O
Molecular Mass: 255.10002
Monoisotopic Mass: 254.00136825
SMILES and InChIs

SMILES:
Clc1nc(Cl)ncc1OCc1ccccc1
Canonical SMILES:
Clc1ncc(c(n1)Cl)OCc1ccccc1
InChI:
InChI=1S/C11H8Cl2N2O/c12-10-9(6-14-11(13)15-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey:
HICKLOUBWJHHFE-UHFFFAOYSA-N

Cite this record

CBID:288960 http://www.chembase.cn/molecule-288960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(benzyloxy)-2,4-dichloropyrimidine
IUPAC Traditional name
5-(benzyloxy)-2,4-dichloropyrimidine
Synonyms
5-(Benzyloxy)-2,4-dichloropyrimidine
CAS Number
91183-17-4
MDL Number
MFCD16658924
PubChem SID
180674491
PubChem CID
49853480

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215441 Please log in.
Data Source Data ID
PubChem 49853480 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 3.3493094  LogD (pH = 7.4) 3.3493094 
Log P 3.3493094  Molar Refractivity 65.1628 cm3
Polarizability 24.642046 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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