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93701-32-7 molecular structure
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1,3-dibromo-2-(bromomethyl)benzene

ChemBase ID: 65815
Molecular Formular: C7H5Br3
Molecular Mass: 328.8266
Monoisotopic Mass: 325.79413616
SMILES and InChIs

SMILES:
c1(cccc(c1CBr)Br)Br
Canonical SMILES:
BrCc1c(Br)cccc1Br
InChI:
InChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey:
QFXJJFWSOLXOSE-UHFFFAOYSA-N

Cite this record

CBID:65815 http://www.chembase.cn/molecule-65815.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dibromo-2-(bromomethyl)benzene
IUPAC Traditional name
1,3-dibromo-2-(bromomethyl)benzene
Synonyms
1,3-Dibromo-2-(bromomethyl)benzene
CAS Number
93701-32-7
MDL Number
MFCD13185505
PubChem SID
162031554
PubChem CID
13381015

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
071180 external link Add to cart Please log in.
Data Source Data ID
PubChem 13381015 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2834883  LogD (pH = 7.4) 4.2834883 
Log P 4.2834883  Molar Refractivity 54.154 cm3
Polarizability 21.039696 Å3 Polar Surface Area 0.0 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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