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100189-84-2 molecular structure
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2,5-dibromo-1,3-dimethylbenzene

ChemBase ID: 180241
Molecular Formular: C8H8Br2
Molecular Mass: 263.95712
Monoisotopic Mass: 261.89927426
SMILES and InChIs

SMILES:
c1(c(cc(cc1C)Br)C)Br
Canonical SMILES:
Brc1cc(C)c(c(c1)C)Br
InChI:
InChI=1S/C8H8Br2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey:
XXFGKGMZLZIPCN-UHFFFAOYSA-N

Cite this record

CBID:180241 http://www.chembase.cn/molecule-180241.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dibromo-1,3-dimethylbenzene
IUPAC Traditional name
2,5-dibromo-1,3-dimethylbenzene
Synonyms
2,5-Dibromo-O-M-xylene
CAS Number
100189-84-2
PubChem SID
164236151
PubChem CID
2758047

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 2758047 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.537594  LogD (pH = 7.4) 4.537594 
Log P 4.537594  Molar Refractivity 51.386 cm3
Polarizability 19.60409 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

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