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900640-59-7 molecular structure
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2-amino-N-(2,3,4-trifluorophenyl)acetamide

ChemBase ID: 308458
Molecular Formular: C8H7F3N2O
Molecular Mass: 204.1491896
Monoisotopic Mass: 204.05104751
SMILES and InChIs

SMILES:
c1(c(c(ccc1NC(=O)CN)F)F)F
Canonical SMILES:
NCC(=O)Nc1ccc(c(c1F)F)F
InChI:
InChI=1S/C8H7F3N2O/c9-4-1-2-5(8(11)7(4)10)13-6(14)3-12/h1-2H,3,12H2,(H,13,14)
InChIKey:
QHHISXJXWLNFGV-UHFFFAOYSA-N

Cite this record

CBID:308458 http://www.chembase.cn/molecule-308458.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(2,3,4-trifluorophenyl)acetamide
IUPAC Traditional name
2-amino-N-(2,3,4-trifluorophenyl)acetamide
Synonyms
N~1~-(2,3,4-trifluorophenyl)glycinamide
CAS Number
900640-59-7
MDL Number
MFCD05266690

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) -1.658031  LogD (pH = 7.4) 0.036088143 
Log P 0.71493214  Molar Refractivity 44.9299 cm3
Polarizability 16.068335 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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