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255909-04-7 molecular structure
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2-bromo-N-(2,4-dimethylphenyl)acetamide

ChemBase ID: 307797
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)C)C)C(=O)CBr
Canonical SMILES:
BrCC(=O)Nc1ccc(cc1C)C
InChI:
InChI=1S/C10H12BrNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey:
BVWPKNUTPOHFIR-UHFFFAOYSA-N

Cite this record

CBID:307797 http://www.chembase.cn/molecule-307797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(2,4-dimethylphenyl)acetamide
IUPAC Traditional name
2-bromo-N-(2,4-dimethylphenyl)acetamide
Synonyms
2-bromo-N-(2,4-dimethylphenyl)acetamide
CAS Number
255909-04-7
MDL Number
MFCD06149118

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.960638  LogD (pH = 7.4) 2.960638 
Log P 2.960638  Molar Refractivity 58.7401 cm3
Polarizability 21.437359 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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