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Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate

Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate - CAS 1454848-19-1

Catalog:	BB009959
Product Name:	Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate
CAS:	1454848-19-1
Synonyms:	4-bromo-5-(bromomethyl)-2-methyl-3-pyrazolecarboxylic acid ethyl ester; ethyl 4-bromo-5-(bromomethyl)-2-methylpyrazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-bromo-5-(bromomethyl)-2-methylpyrazole-3-carboxylate
Description:	Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate (CAS# 1454848-19-1 ) is a useful research chemical.
Molecular Weight:	325.99
Molecular Formula:	C8H10Br2N2O2
Canonical SMILES:	CCOC(=O)C1=C(C(=NN1C)CBr)Br
InChI:	InChI=1S/C8H10Br2N2O2/c1-3-14-8(13)7-6(10)5(4-9)11-12(7)2/h3-4H2,1-2H3
InChI Key:	ZKLIVYLJJONLRY-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-113336703-A	Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives	20210517
CA-3024482-A1	Macrocyclic indole derivatives	20160519
EP-3458459-A1	Macrocyclic indole derivatives	20160519
JP-2019518747-A	Macrocyclic indole derivatives	20160519
TW-201808957-A	Macrocyclic guanidine derivative	20160519

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	325.90885
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	323.9109
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1