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155-12-4 molecular structure
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2-chloro-5-fluoropyrimidin-4-ol

ChemBase ID: 306999
Molecular Formular: C4H2ClFN2O
Molecular Mass: 148.5228832
Monoisotopic Mass: 147.98396859
SMILES and InChIs

SMILES:
n1c(c(cnc1Cl)F)O
Canonical SMILES:
Clc1ncc(c(n1)O)F
InChI:
InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
InChIKey:
FHTLMXYURUPWJB-UHFFFAOYSA-N

Cite this record

CBID:306999 http://www.chembase.cn/molecule-306999.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-fluoropyrimidin-4-ol
IUPAC Traditional name
2-chloro-5-fluoropyrimidin-4-ol
Synonyms
2-chloro-5-fluoropyrimidin-4-ol
CAS Number
155-12-4
MDL Number
MFCD00042209

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3918749  LogD (pH = 7.4) 1.391478 
Log P 1.3918799  Molar Refractivity 30.7317 cm3
Polarizability 11.1202755 Å3 Polar Surface Area 46.01 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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