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3,5-Dimethyl-1-phenylpyrazole

CAT: 0013-GTR19252682-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252682-01Size:50 mg
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Description
3,5-Dimethyl-1-phenylpyrazole
CAS Number
1131-16-4
Purity
99.51% (May vary between batches)
Smiles
CC1=NN (C (C) =C1) C1=CC=CC=C1
Molecular Formula
C11H12N2
Molecular Weight
172.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dimethylphenylpyrazole
CAS Number1131-16-4
PubChem CID70800
IUPAC Name3,5-dimethyl-1-phenylpyrazole
Molecular FormulaC11H12N2
Molecular Weight172.23
XLogP2.7
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
CC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
ULPMPUPEFBDQQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethylphenylpyrazole
CAS: 1131-16-4
CID: 70800
Formula: C11H12N2
MW: 172.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.23
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass172.100048391
Monoisotopic Mass172.100048391
Topological Polar Surface Area17.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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