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16239-18-2 molecular structure
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1,6-dibromonaphthalen-2-ol

ChemBase ID: 108624
Molecular Formular: C10H6Br2O
Molecular Mass: 301.96204
Monoisotopic Mass: 299.87853881
SMILES and InChIs

SMILES:
Oc1c(Br)c2ccc(Br)cc2cc1
Canonical SMILES:
Brc1ccc2c(c1)ccc(c2Br)O
InChI:
InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H
InChIKey:
VKESFYLPKHQOOA-UHFFFAOYSA-N

Cite this record

CBID:108624 http://www.chembase.cn/molecule-108624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,6-dibromonaphthalen-2-ol
IUPAC Traditional name
2-naphthol, 1,6-dibromo-
Synonyms
1,6-DIBROMO-2-NAPHTHOL
CAS Number
16239-18-2
EC Number
240-356-6
PubChem SID
162094328
PubChem CID
27768

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208118 external link Add to cart Please log in.
Data Source Data ID
PubChem 27768 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.9218526  H Acceptors
H Donor LogD (pH = 5.5) 4.195033 
LogD (pH = 7.4) 4.0833826  Log P 4.1966624 
Molar Refractivity 59.7347 cm3 Polarizability 24.03697 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
105°C expand Show data source
RTECS
QL3500000 expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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