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1-(3-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole

1-(3-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole

CAS: 353241-43-7

Formula: C12H11ClN2O

SMILES: CC1=NN(C(=O)C2=CC=CC(Cl)=C2)C(C)=C1

IUPAC: 1-(3-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole

InChI: InChI=1S/C12H11ClN2O/c1-8-6-9(2)15(14-8)12(16)10-4-3-5-11(13)7-10/h3-7H,1-2H3

Composition: C (61.42%), H (4.72%), Cl (15.11%), N (11.94%), O (6.82%)

Molar Mass: 234.68

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.0559907
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KUMAPKSXVRZRRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.23
Topological Polar Surface Area 34.89
Polarizability 24
Ring Count 2
Rotatable Bond Count 1

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Key Organics Ltd
Purity LeadTime RefID PacketSize UnitPrice
90% <2 Days BS-4425 $51.35-$86.31$51.35$63.37$86.31
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