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912771-34-7 molecular structure
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5-chloro-2,4-dimethoxybenzaldehyde

ChemBase ID: 312094
Molecular Formular: C9H9ClO3
Molecular Mass: 200.61896
Monoisotopic Mass: 200.02402183
SMILES and InChIs

SMILES:
c1(c(cc(c(c1)Cl)OC)OC)C=O
Canonical SMILES:
COc1cc(OC)c(cc1C=O)Cl
InChI:
InChI=1S/C9H9ClO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKey:
GIVDGPVKJDAWMO-UHFFFAOYSA-N

Cite this record

CBID:312094 http://www.chembase.cn/molecule-312094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2,4-dimethoxybenzaldehyde
IUPAC Traditional name
5-chloro-2,4-dimethoxybenzaldehyde
Synonyms
5-chloro-2,4-dimethoxybenzaldehyde
CAS Number
912771-34-7
MDL Number
MFCD08691805

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9744503  LogD (pH = 7.4) 1.9744503 
Log P 1.9744503  Molar Refractivity 50.3732 cm3
Polarizability 19.200397 Å3 Polar Surface Area 35.53 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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