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662154-29-2 molecular structure
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2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid

ChemBase ID: 311725
Molecular Formular: C10H9ClO5
Molecular Mass: 244.62846
Monoisotopic Mass: 244.01385107
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)Cl)OC)OCC(=O)O)C=O
Canonical SMILES:
COc1cc(Cl)cc(c1OCC(=O)O)C=O
InChI:
InChI=1S/C10H9ClO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey:
BUWMPGOSLRJIOT-UHFFFAOYSA-N

Cite this record

CBID:311725 http://www.chembase.cn/molecule-311725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
IUPAC Traditional name
4-chloro-2-formyl-6-methoxyphenoxyacetic acid
Synonyms
(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
CAS Number
662154-29-2
MDL Number
MFCD04129131

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) -1.1200575  LogD (pH = 7.4) -2.034983 
Log P 1.4524336  Molar Refractivity 56.4578 cm3
Polarizability 21.67239 Å3 Polar Surface Area 72.83 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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