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903579-12-4 molecular structure
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2-(benzyloxy)-4-bromo-1-chlorobenzene

ChemBase ID: 801180
Molecular Formular: C13H10BrClO
Molecular Mass: 297.5749
Monoisotopic Mass: 295.96035462
SMILES and InChIs

SMILES:
c1(c(cc(cc1)Br)OCc1ccccc1)Cl
Canonical SMILES:
Brc1ccc(c(c1)OCc1ccccc1)Cl
InChI:
InChI=1S/C13H10BrClO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey:
CJNSNMPZMZMQJA-UHFFFAOYSA-N

Cite this record

CBID:801180 http://www.chembase.cn/molecule-801180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-4-bromo-1-chlorobenzene
IUPAC Traditional name
2-(benzyloxy)-4-bromo-1-chlorobenzene
Synonyms
2-(BENZYLOXY)-4-BROMO-1-CHLOROBENZENE
CAS Number
903579-12-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17505 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17505 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.912845  LogD (pH = 7.4) 4.912845 
Log P 4.912845  Molar Refractivity 69.5614 cm3
Polarizability 27.069305 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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