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215503-93-8 molecular structure
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2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

ChemBase ID: 312061
Molecular Formular: C12H10N2O3S
Molecular Mass: 262.2844
Monoisotopic Mass: 262.04121319
SMILES and InChIs

SMILES:
c1(NC(=O)COc2ccc(C=O)cc2)nccs1
Canonical SMILES:
O=Cc1ccc(cc1)OCC(=O)Nc1nccs1
InChI:
InChI=1S/C12H10N2O3S/c15-7-9-1-3-10(4-2-9)17-8-11(16)14-12-13-5-6-18-12/h1-7H,8H2,(H,13,14,16)
InChIKey:
MXGHVNKPNQEZPM-UHFFFAOYSA-N

Cite this record

CBID:312061 http://www.chembase.cn/molecule-312061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
IUPAC Traditional name
2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
Synonyms
2-(4-formylphenoxy)-N-1,3-thiazol-2-ylacetamide
CAS Number
215503-93-8
MDL Number
MFCD08575597

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) 1.7833995  LogD (pH = 7.4) 1.7830575 
Log P 1.7834048  Molar Refractivity 68.1488 cm3
Polarizability 25.231728 Å3 Polar Surface Area 68.29 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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