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Structure

4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS
685513-49-9
Catalog Number
ACM685513499
Category
Other Products
Molecular Weight
216.66
Molecular Formula
C9H13ClN2O2

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Specification

Synonyms
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-sec-butyl-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC Name
4-chloro-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
Canonical SMILES
CC(C)CC1=NN(C(=C1Cl)C(=O)O)C
InChI Key
ADOALHKKXZVQFF-UHFFFAOYSA-N
Boiling Point
352.8ºC at 760 mmHg
Flash Point
167.2ºC
Density
1.3 g/cm³
Exact Mass
216.06700
H-Bond Acceptor
3
H-Bond Donor
1
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