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70631-50-4 molecular structure
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1-(bromomethyl)-7-fluoronaphthalene

ChemBase ID: 162965
Molecular Formular: C11H8BrF
Molecular Mass: 239.0836232
Monoisotopic Mass: 237.97934048
SMILES and InChIs

SMILES:
c1ccc2c(c1CBr)cc(cc2)F
Canonical SMILES:
BrCc1cccc2c1cc(F)cc2
InChI:
InChI=1S/C11H8BrF/c12-7-9-3-1-2-8-4-5-10(13)6-11(8)9/h1-6H,7H2
InChIKey:
VVYGMSYOLOXJAN-UHFFFAOYSA-N

Cite this record

CBID:162965 http://www.chembase.cn/molecule-162965.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(bromomethyl)-7-fluoronaphthalene
IUPAC Traditional name
1-(bromomethyl)-7-fluoronaphthalene
Synonyms
1-(Bromomethyl)-7-fluoronaphthalene
CAS Number
70631-50-4
PubChem SID
162257100
PubChem CID
15657420

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC B685365 external link Add to cart
PubChem 15657420 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 15657420 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.878162  LogD (pH = 7.4) 3.878162 
Log P 3.878162  Molar Refractivity 55.575 cm3
Polarizability 21.926735 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B685365 external link
A Naftifine (N213100) analog with improved oral efficacy. A topical antifungal agent.

REFERENCES

REFERENCES

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  • • Nussbaumer, P., et al.: Med. Chem. Res., 5, 515 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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