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MFCD07775011 molecular structure
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2-chloro-4-(2-chloroprop-2-en-1-yl)-1-fluorobenzene

ChemBase ID: 100201
Molecular Formular: C9H7Cl2F
Molecular Mass: 205.0562832
Monoisotopic Mass: 203.9908838
SMILES and InChIs

SMILES:
Fc1c(cc(cc1)CC(=C)Cl)Cl
Canonical SMILES:
ClC(=C)Cc1ccc(c(c1)Cl)F
InChI:
InChI=1S/C9H7Cl2F/c1-6(10)4-7-2-3-9(12)8(11)5-7/h2-3,5H,1,4H2
InChIKey:
LQACEUSXZKRYDK-UHFFFAOYSA-N

Cite this record

CBID:100201 http://www.chembase.cn/molecule-100201.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-(2-chloroprop-2-en-1-yl)-1-fluorobenzene
IUPAC Traditional name
2-chloro-4-(2-chloroprop-2-en-1-yl)-1-fluorobenzene
Synonyms
2-Chloro-3-(3-chloro-4-fluorophenyl)prop-1-ene
5-(2-Chloroallyl)-2-fluorochlorobenzene
MDL Number
MFCD07775011
PubChem SID
162086431
PubChem CID
24721750

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC8396 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721750 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8994188  LogD (pH = 7.4) 3.8994188 
Log P 3.8994188  Molar Refractivity 50.2367 cm3
Polarizability 19.043943 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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