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510716-35-5 molecular structure
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2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide

ChemBase ID: 311875
Molecular Formular: C11H9BrN2O2
Molecular Mass: 281.10536
Monoisotopic Mass: 279.98473954
SMILES and InChIs

SMILES:
n1(cc(c2c1ccc(c2)Br)C=O)CC(=O)N
Canonical SMILES:
O=Cc1cn(c2c1cc(Br)cc2)CC(=O)N
InChI:
InChI=1S/C11H9BrN2O2/c12-8-1-2-10-9(3-8)7(6-15)4-14(10)5-11(13)16/h1-4,6H,5H2,(H2,13,16)
InChIKey:
LCOXJCPBJYZPIQ-UHFFFAOYSA-N

Cite this record

CBID:311875 http://www.chembase.cn/molecule-311875.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide
IUPAC Traditional name
2-(5-bromo-3-formylindol-1-yl)acetamide
Synonyms
2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide
CAS Number
510716-35-5
MDL Number
MFCD03306330

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) 1.4479796  LogD (pH = 7.4) 1.4479796 
Log P 1.4479796  Molar Refractivity 64.1548 cm3
Polarizability 25.100916 Å3 Polar Surface Area 65.09 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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