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677012-43-0 molecular structure
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2-(2-bromo-4-formyl-6-methoxyphenoxy)acetic acid

ChemBase ID: 311533
Molecular Formular: C10H9BrO5
Molecular Mass: 289.07946
Monoisotopic Mass: 287.96333539
SMILES and InChIs

SMILES:
c1(c(cc(cc1OC)C=O)Br)OCC(=O)O
Canonical SMILES:
O=Cc1cc(Br)c(c(c1)OC)OCC(=O)O
InChI:
InChI=1S/C10H9BrO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey:
PSNAZEXVUPWIHQ-UHFFFAOYSA-N

Cite this record

CBID:311533 http://www.chembase.cn/molecule-311533.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromo-4-formyl-6-methoxyphenoxy)acetic acid
IUPAC Traditional name
2-bromo-4-formyl-6-methoxyphenoxyacetic acid
Synonyms
(2-bromo-4-formyl-6-methoxyphenoxy)acetic acid
CAS Number
677012-43-0
MDL Number
MFCD02256512

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4174851  LogD (pH = 7.4) -1.9008538 
Log P 1.6171416  Molar Refractivity 59.2758 cm3
Polarizability 22.73323 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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