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571-57-3 molecular structure
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4-bromonaphthalen-1-ol

ChemBase ID: 67017
Molecular Formular: C10H7BrO
Molecular Mass: 223.06598
Monoisotopic Mass: 221.96802684
SMILES and InChIs

SMILES:
c1(ccc(c2ccccc12)Br)O
Canonical SMILES:
Brc1ccc(c2c1cccc2)O
InChI:
InChI=1S/C10H7BrO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey:
OUNQUWORSXHSJN-UHFFFAOYSA-N

Cite this record

CBID:67017 http://www.chembase.cn/molecule-67017.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromonaphthalen-1-ol
IUPAC Traditional name
4-bromonaphthalen-1-ol
Synonyms
4-Bromo-1-naphthalenol
4-Bromonaphthalen-1-ol
CAS Number
571-57-3
MDL Number
MFCD03129265
PubChem SID
162032753
PubChem CID
575609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 575609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.685277  H Acceptors
H Donor LogD (pH = 5.5) 3.4276283 
LogD (pH = 7.4) 3.4060993  Log P 3.4279099 
Molar Refractivity 52.1119 cm3 Polarizability 21.111313 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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