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64297-92-3 molecular structure
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2-bromo-N-(2-phenylethyl)acetamide

ChemBase ID: 307795
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
C(=O)(NCCc1ccccc1)CBr
Canonical SMILES:
BrCC(=O)NCCc1ccccc1
InChI:
InChI=1S/C10H12BrNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey:
NIFSTJXZBDBHDF-UHFFFAOYSA-N

Cite this record

CBID:307795 http://www.chembase.cn/molecule-307795.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(2-phenylethyl)acetamide
IUPAC Traditional name
2-bromo-N-(2-phenylethyl)acetamide
Synonyms
2-bromo-N-(2-phenylethyl)acetamide
CAS Number
64297-92-3
MDL Number
MFCD06800319

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) 1.9293611  LogD (pH = 7.4) 1.9293607 
Log P 1.9293611  Molar Refractivity 56.4669 cm3
Polarizability 21.590063 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

INTERNET

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