1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride

Base Information

• Chemical Name: 1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride
• CAS No.: 113100-63-3
• Molecular Formula: C8H9 Cl N2 O
• Molecular Weight: 184.62286
• DSSTox Substance ID: DTXSID10575779
• Wikidata: Q82465200
• Mol file: 113100-63-3.mol

Synonyms:113100-63-3;1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride;3-methyl-1-prop-2-enylpyrazole-4-carbonyl chloride;1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-(2-propenyl)- (9CI);SCHEMBL3063888;DTXSID10575779;3-Methyl-1-(prop-2-en-1-yl)-1H-pyrazole-4-carbonyl chloride

Chemical Property of 1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride

Chemical Property:

• PSA: 34.89000
• LogP: 1.75650
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0403406
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1C(=O)Cl)CC=C

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