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900641-74-9 molecular structure
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2-amino-N-(2-bromophenyl)acetamide

ChemBase ID: 308338
Molecular Formular: C8H9BrN2O
Molecular Mass: 229.07386
Monoisotopic Mass: 227.98982492
SMILES and InChIs

SMILES:
N(c1c(Br)cccc1)C(=O)CN
Canonical SMILES:
NCC(=O)Nc1ccccc1Br
InChI:
InChI=1S/C8H9BrN2O/c9-6-3-1-2-4-7(6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
InChIKey:
HEBSALZPGHIZMV-UHFFFAOYSA-N

Cite this record

CBID:308338 http://www.chembase.cn/molecule-308338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(2-bromophenyl)acetamide
IUPAC Traditional name
2-amino-N-(2-bromophenyl)acetamide
Synonyms
N~1~-(2-bromophenyl)glycinamide
CAS Number
900641-74-9
MDL Number
MFCD04639760

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) -1.3174564  LogD (pH = 7.4) 0.37690356 
Log P 1.055579  Molar Refractivity 51.9035 cm3
Polarizability 19.567211 Å3 Polar Surface Area 55.12 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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