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25299-26-7 molecular structure
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3-bromo-5-chloro-2-methoxybenzaldehyde

ChemBase ID: 312072
Molecular Formular: C8H6BrClO2
Molecular Mass: 249.48904
Monoisotopic Mass: 247.92396911
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)Cl)Br)OC)C=O
Canonical SMILES:
O=Cc1cc(Cl)cc(c1OC)Br
InChI:
InChI=1S/C8H6BrClO2/c1-12-8-5(4-11)2-6(10)3-7(8)9/h2-4H,1H3
InChIKey:
WMHPXUMZJOUCSK-UHFFFAOYSA-N

Cite this record

CBID:312072 http://www.chembase.cn/molecule-312072.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-chloro-2-methoxybenzaldehyde
IUPAC Traditional name
3-bromo-5-chloro-2-methoxybenzaldehyde
Synonyms
3-bromo-5-chloro-2-methoxybenzaldehyde
CAS Number
25299-26-7
MDL Number
MFCD05998291

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9008741  LogD (pH = 7.4) 2.9008741 
Log P 2.9008741  Molar Refractivity 51.5328 cm3
Polarizability 19.604446 Å3 Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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