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874907-48-9 molecular structure
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3-bromo-1-fluoro-2-iodonaphthalene

ChemBase ID: 93839
Molecular Formular: C10H5BrFI
Molecular Mass: 350.9535732
Monoisotopic Mass: 349.86033838
SMILES and InChIs

SMILES:
Fc1c(c(cc2ccccc12)Br)I
Canonical SMILES:
Ic1c(Br)cc2c(c1F)cccc2
InChI:
InChI=1S/C10H5BrFI/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
InChIKey:
HZQDAXJODFEXHP-UHFFFAOYSA-N

Cite this record

CBID:93839 http://www.chembase.cn/molecule-93839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-1-fluoro-2-iodonaphthalene
IUPAC Traditional name
3-bromo-1-fluoro-2-iodonaphthalene
Synonyms
3-Bromo-1-fluoro-2-iodonaphthalene
CAS Number
874907-48-9
PubChem SID
162080502
PubChem CID
11595490

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 11595490 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8031216  LogD (pH = 7.4) 4.8031216 
Log P 4.8031216  Molar Refractivity 63.7099 cm3
Polarizability 25.570007 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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