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862135-55-5 molecular structure
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5,6-dibromo-2,3-dihydro-1H-inden-2-yl acetate

ChemBase ID: 797988
Molecular Formular: C11H10Br2O2
Molecular Mass: 334.0039
Monoisotopic Mass: 331.90475356
SMILES and InChIs

SMILES:
CC(=O)OC1Cc2c(C1)cc(c(c2)Br)Br
Canonical SMILES:
CC(=O)OC1Cc2c(C1)cc(c(c2)Br)Br
InChI:
InChI=1S/C11H10Br2O2/c1-6(14)15-9-2-7-4-10(12)11(13)5-8(7)3-9/h4-5,9H,2-3H2,1H3
InChIKey:
RVJDULVOORVYQP-UHFFFAOYSA-N

Cite this record

CBID:797988 http://www.chembase.cn/molecule-797988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dibromo-2,3-dihydro-1H-inden-2-yl acetate
IUPAC Traditional name
5,6-dibromo-2,3-dihydro-1H-inden-2-yl acetate
Synonyms
Acetic acid 5,6-dibromo-indan-2-yl ester
CAS Number
862135-55-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10204 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10204 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) 3.5728436  LogD (pH = 7.4) 3.5728436 
Log P 3.5728436  Molar Refractivity 65.0058 cm3
Polarizability 25.415983 Å3 Polar Surface Area 26.3 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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