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36914-77-9 molecular structure
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2,4-difluorophenyl acetate

ChemBase ID: 95296
Molecular Formular: C8H6F2O2
Molecular Mass: 172.1288464
Monoisotopic Mass: 172.03358587
SMILES and InChIs

SMILES:
O(c1ccc(cc1F)F)C(=O)C
Canonical SMILES:
CC(=O)Oc1ccc(cc1F)F
InChI:
InChI=1S/C8H6F2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKey:
SJMMFGNAJFFWNL-UHFFFAOYSA-N

Cite this record

CBID:95296 http://www.chembase.cn/molecule-95296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-difluorophenyl acetate
IUPAC Traditional name
2,4-difluorophenyl acetate
Synonyms
1-Acetoxy-2,4-difluorobenzene
2,4-Difluorophenyl acetate
CAS Number
36914-77-9
MDL Number
MFCD00116503
PubChem SID
162081946
PubChem CID
2779528

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2779528 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8659106  LogD (pH = 7.4) 1.8659106 
Log P 1.8659106  Molar Refractivity 37.6232 cm3
Polarizability 14.285048 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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