2-Bromo-1-(1-methyl-4-pyrazolyl)ethanone - CAS 706819-66-1

Catalog:	BB034211
Product Name:	2-Bromo-1-(1-methyl-4-pyrazolyl)ethanone
CAS:	706819-66-1
Synonyms:	2-bromo-1-(1-methyl-4-pyrazolyl)ethanone; 2-bromo-1-(1-methylpyrazol-4-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-(1-methylpyrazol-4-yl)ethanone
Description:	2-Bromo-1-(1-methyl-4-pyrazolyl)ethanone (CAS# 706819-66-1 ) is a useful research chemical.
Molecular Weight:	203.04
Molecular Formula:	C6H7BrN2O
Canonical SMILES:	CN1C=C(C=N1)C(=O)CBr
InChI:	InChI=1S/C6H7BrN2O/c1-9-4-5(3-8-9)6(10)2-7/h3-4H,2H2,1H3
InChI Key:	WFSBGKUQQQMDJU-UHFFFAOYSA-N
LogP:	0.99770

Publication Number	Title	Priority Date
CN-112047929-A	Preparation method of 3- (1-methyl-1H-pyrazol-4-yl) -6-quinoxalinamine	20200928
CN-112079816-A	Preparation method of 7-bromo-2- (1-methyl-1H-pyrazol-4-yl) quinoxaline	20200928
CN-113150012-A	Pyrazolo [1,5-a ] pyrazine derivative and preparation method and application thereof	20200122
WO-2021147790-A1	Pyrazolo[1,5-a]pyrazine derivative and preparation method therefor and use thereof	20200122
WO-2020207476-A1	Pyrazolopyrazine derived compounds, pharmaceutical composition and use thereof	20190412

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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.97418
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.97418
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7