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104703-38-0 molecular structure
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N-(4-bromophenyl)-2-methoxyacetamide

ChemBase ID: 311688
Molecular Formular: C9H10BrNO2
Molecular Mass: 244.0852
Monoisotopic Mass: 242.98949057
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(Br)cc1)COC
Canonical SMILES:
COCC(=O)Nc1ccc(cc1)Br
InChI:
InChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey:
UWPRWZGIASZACV-UHFFFAOYSA-N

Cite this record

CBID:311688 http://www.chembase.cn/molecule-311688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromophenyl)-2-methoxyacetamide
IUPAC Traditional name
2-methoxy-4-bromoacetanilide
Synonyms
N-(4-bromophenyl)-2-methoxyacetamide
CAS Number
104703-38-0
MDL Number
MFCD03138731

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) 1.8055873  LogD (pH = 7.4) 1.8055861 
Log P 1.8055873  Molar Refractivity 54.9972 cm3
Polarizability 20.61505 Å3 Polar Surface Area 38.33 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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