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349120-87-2 molecular structure
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2-bromo-N-(3,4-dimethylphenyl)acetamide

ChemBase ID: 307796
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
C(=O)(Nc1cc(c(cc1)C)C)CBr
Canonical SMILES:
BrCC(=O)Nc1ccc(c(c1)C)C
InChI:
InChI=1S/C10H12BrNO/c1-7-3-4-9(5-8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey:
IIKSINTWPCYINB-UHFFFAOYSA-N

Cite this record

CBID:307796 http://www.chembase.cn/molecule-307796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(3,4-dimethylphenyl)acetamide
IUPAC Traditional name
2-bromo-N-(3,4-dimethylphenyl)acetamide
Synonyms
2-bromo-N-(3,4-dimethylphenyl)acetamide
CAS Number
349120-87-2
MDL Number
MFCD02974355

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) 2.960638  LogD (pH = 7.4) 2.960638 
Log P 2.960638  Molar Refractivity 58.7401 cm3
Polarizability 21.436779 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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