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MFCD00671873 molecular structure
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1-bromo-4-(2-bromoprop-2-en-1-yl)benzene

ChemBase ID: 73756
Molecular Formular: C9H8Br2
Molecular Mass: 275.96782
Monoisotopic Mass: 273.89927426
SMILES and InChIs

SMILES:
BrC(=C)Cc1ccc(cc1)Br
Canonical SMILES:
BrC(=C)Cc1ccc(cc1)Br
InChI:
InChI=1S/C9H8Br2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5H,1,6H2
InChIKey:
KLEDCYZVUQXGCH-UHFFFAOYSA-N

Cite this record

CBID:73756 http://www.chembase.cn/molecule-73756.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-4-(2-bromoprop-2-en-1-yl)benzene
IUPAC Traditional name
1-bromo-4-(2-bromoprop-2-en-1-yl)benzene
Synonyms
2-Bromo-3-(4-bromophenyl)prop-1-ene
4-(2-Bromoprop-2-en-1-yl)bromobenzene
MDL Number
MFCD00671873
PubChem SID
162038675
PubChem CID
11011236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01872 external link Add to cart Please log in.
Data Source Data ID
PubChem 11011236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0861325  LogD (pH = 7.4) 4.0861325 
Log P 4.0861325  Molar Refractivity 55.6563 cm3
Polarizability 21.198643 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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