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432496-77-0 molecular structure
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2-bromo-6-ethoxy-4-[(E)-2-nitroethenyl]phenol

ChemBase ID: 311768
Molecular Formular: C10H10BrNO4
Molecular Mass: 288.0947
Monoisotopic Mass: 286.97931981
SMILES and InChIs

SMILES:
[N+](=O)(/C=C/c1cc(c(c(c1)OCC)O)Br)[O-]
Canonical SMILES:
CCOc1cc(/C=C/[N+](=O)[O-])cc(c1O)Br
InChI:
InChI=1S/C10H10BrNO4/c1-2-16-9-6-7(3-4-12(14)15)5-8(11)10(9)13/h3-6,13H,2H2,1H3/b4-3+
InChIKey:
CCDAKERDCYBSDH-ONEGZZNKSA-N

Cite this record

CBID:311768 http://www.chembase.cn/molecule-311768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-ethoxy-4-[(E)-2-nitroethenyl]phenol
IUPAC Traditional name
2-bromo-6-ethoxy-4-[(E)-2-nitroethenyl]phenol
Synonyms
2-bromo-6-ethoxy-4-[(E)-2-nitrovinyl]phenol
CAS Number
432496-77-0
MDL Number
MFCD03143477

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) 2.7978473  LogD (pH = 7.4) 2.6047852 
Log P 2.800972  Molar Refractivity 61.8596 cm3
Polarizability 23.699831 Å3 Polar Surface Area 72.6 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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