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1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol structure

CAS No:
722470-55-5
Formula:
C13H10BrF5N2O3
Chemical Name:
1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
Synonyms:
MLS000545987;SMR000163872;1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol;CHEMBL1559175;BDBM44214;cid_3266848;DTXSID00896485;REGID_for_CID_3266848;HMS2387G04;MCULE-3560762550

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1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol Basic Attributes

Molecular Weight：

417.126116

Exact Mass：

415.9795

Characteristics

PSA：

62.1

1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:417.13
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:415.97950
Monoisotopic Mass:415.97950
Topological Polar Surface Area:62.1
Heavy Atom Count:24
Complexity:534
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-bromobenzoyl)-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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