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57165-12-5 molecular structure
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N-(4-amino-2-fluorophenyl)acetamide

ChemBase ID: 308766
Molecular Formular: C8H9FN2O
Molecular Mass: 168.1682632
Monoisotopic Mass: 168.06989114
SMILES and InChIs

SMILES:
N(c1c(cc(N)cc1)F)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1F)N
InChI:
InChI=1S/C8H9FN2O/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,10H2,1H3,(H,11,12)
InChIKey:
URXXVRGEJLUCNC-UHFFFAOYSA-N

Cite this record

CBID:308766 http://www.chembase.cn/molecule-308766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-amino-2-fluorophenyl)acetamide
IUPAC Traditional name
N-(4-amino-2-fluorophenyl)acetamide
Synonyms
N-(4-amino-2-fluorophenyl)acetamide
CAS Number
57165-12-5
MDL Number
MFCD11695889

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) 0.5230813  LogD (pH = 7.4) 0.52470946 
Log P 0.5247322  Molar Refractivity 45.8378 cm3
Polarizability 16.06087 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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