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2-(2,4-dichlorophenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-4'H-[3,4'-bipyrazol]-3'-one

2-(2,4-dichlorophenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-4'H-[3,4'-bipyrazol]-3'-one

CAS: 246021-97-6

Formula: C23H17Cl2N5OS

SMILES: CC1=NN(C(=C1)C1C(C)=NN(C1=O)C1=NC(=CS1)C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1

IUPAC: 2-(2,4-dichlorophenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-3',4'-dihydro-2H,2'H-[3,4'-bipyrazol]-3'-one

InChI: InChI=1/C23H17Cl2N5OS/c1-13-10-20(29(27-13)19-9-8-16(24)11-17(19)25)21-14(2)28-30(22(21)31)23-26-18(12-32-23)15-6-4-3-5-7-15/h3-12,21H,1-2H3

Composition: C (57.27%), H (3.55%), Cl (14.70%), N (14.52%), O (3.32%), S (6.65%)

Molar Mass: 482.38

Atom Count: 49

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 481.0530868
Formal Charge 0
FSP3 0.13
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZNNBLVSSSTWBOQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 126.05
Topological Polar Surface Area 63.38
Polarizability 49.79
Ring Count 5
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 246021-97-6 $51.35-$524.40$51.35$63.37$86.31$524.40
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