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35995-55-2 molecular structure
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{[(1,3-dibromopropan-2-yl)oxy]methyl}benzene

ChemBase ID: 799041
Molecular Formular: C10H12Br2O
Molecular Mass: 308.00968
Monoisotopic Mass: 305.925489
SMILES and InChIs

SMILES:
c1(ccccc1)COC(CBr)CBr
Canonical SMILES:
BrCC(OCc1ccccc1)CBr
InChI:
InChI=1S/C10H12Br2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey:
HVELAOQZAFXLRD-UHFFFAOYSA-N

Cite this record

CBID:799041 http://www.chembase.cn/molecule-799041.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(1,3-dibromopropan-2-yl)oxy]methyl}benzene
IUPAC Traditional name
{[(1,3-dibromopropan-2-yl)oxy]methyl}benzene
Synonyms
((1,3-dibromopropan-2-yloxy)methyl)benzene
CAS Number
35995-55-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13223 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13223 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) 3.6087599  LogD (pH = 7.4) 3.6087599 
Log P 3.6087599  Molar Refractivity 61.9489 cm3
Polarizability 23.92959 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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