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ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate

ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate structure

CAS No:
545359-89-5
Formula:
C16H12F7N3O3
Chemical Name:
ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate
Synonyms:
ethyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate;SMR000159638;MLS000324583;CHEMBL1500562;DTXSID60896289;HMS2346D18;ZINC2100246;STK420432;AKOS003273332;MCULE-8380677565;Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate;545359-89-5;AK-968/40391176

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ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate Basic Attributes

Molecular Weight：

427.27 g/mol

Exact Mass：

427.07668839 g/mol

Characteristics

PSA：

73.2 Å²

ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:427.27
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:427.07668839
Monoisotopic Mass:427.07668839
Topological Polar Surface Area:73.2
Heavy Atom Count:29
Complexity:609
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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