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126265-30-3 molecular structure
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2-bromo-N-(prop-2-en-1-yl)acetamide

ChemBase ID: 307808
Molecular Formular: C5H8BrNO
Molecular Mass: 178.02712
Monoisotopic Mass: 176.97892588
SMILES and InChIs

SMILES:
C(=O)(NCC=C)CBr
Canonical SMILES:
BrCC(=O)NCC=C
InChI:
InChI=1S/C5H8BrNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
InChIKey:
DIURKPUKYORPET-UHFFFAOYSA-N

Cite this record

CBID:307808 http://www.chembase.cn/molecule-307808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(prop-2-en-1-yl)acetamide
IUPAC Traditional name
2-bromo-N-(prop-2-en-1-yl)acetamide
Synonyms
N-allyl-2-bromoacetamide
CAS Number
126265-30-3
MDL Number
MFCD06799645

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) 0.6474766  LogD (pH = 7.4) 0.64747566 
Log P 0.6474766  Molar Refractivity 36.262 cm3
Polarizability 13.763094 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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