3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-fluorobenzoic acid

Name: 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-fluorobenzoic acid
Brand: ChemScene
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CAS No. 957290-76-5
Cat. No. CS-0562438
Molecule weight234.23
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-fluorobenzoic acid|CS-0562438

Structure of 957290-76-5

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General Information

CAS No. 957290-76-5
Cat. No. CS-0562438
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₁FN₂O₂
Molecular Weight 234.23
Synonym(s) 3-(3,5-DIMETHYL-PYRAZOL-1-YL)-4-FLUORO-BENZOIC ACID
SMILES CC1=CC(=NN1C2=C(C=CC(=C2)C(=O)O)F)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 55.12
LogP 2.32644
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-fluorobenzoic acid

CAS No. 957290-76-5

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