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56052-26-7 molecular structure
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(4-bromonaphthalen-1-yl)methanol

ChemBase ID: 797948
Molecular Formular: C11H9BrO
Molecular Mass: 237.09256
Monoisotopic Mass: 235.98367691
SMILES and InChIs

SMILES:
C(O)c1c2ccccc2c(cc1)Br
Canonical SMILES:
OCc1ccc(c2c1cccc2)Br
InChI:
InChI=1S/C11H9BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKey:
QAZWQAUUZFJKMU-UHFFFAOYSA-N

Cite this record

CBID:797948 http://www.chembase.cn/molecule-797948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromonaphthalen-1-yl)methanol
IUPAC Traditional name
(4-bromonaphthalen-1-yl)methanol
Synonyms
(4-Bromo-naphthalen-1-yl)-methanol
CAS Number
56052-26-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10113 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10113 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.1151495  H Acceptors
H Donor LogD (pH = 5.5) 2.9641254 
LogD (pH = 7.4) 2.9641254  Log P 2.9641254 
Molar Refractivity 56.9469 cm3 Polarizability 22.952341 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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