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4-(2,4-dichlorobenzoyl)-1-methyl-N'-{2-[3-(trifluoromethyl)phenoxy]ethanimidoyl}pyrrole-2-carbohydrazide

4-(2,4-dichlorobenzoyl)-1-methyl-N'-{2-[3-(trifluoromethyl)phenoxy]ethanimidoyl}pyrrole-2-carbohydrazide

CAS: 338418-47-6

Formula: C22H17Cl2F3N4O3

SMILES: CN1C=C(C=C1C(=O)NNC(=N)COC1=CC(=CC=C1)C(F)(F)F)C(=O)C1=C(Cl)C=C(Cl)C=C1

IUPAC: 4-(2,4-dichlorobenzoyl)-1-methyl-N'-{2-[3-(trifluoromethyl)phenoxy]ethanimidoyl}-1H-pyrrole-2-carbohydrazide

InChI: InChI=1S/C22H17Cl2F3N4O3/c1-31-10-12(20(32)16-6-5-14(23)9-17(16)24)7-18(31)21(33)30-29-19(28)11-34-15-4-2-3-13(8-15)22(25,26)27/h2-10H,11H2,1H3,(H2,28,29)(H,30,33)

Composition: C (51.48%), H (3.34%), Cl (13.81%), F (11.10%), N (10.92%), O (9.35%)

Molar Mass: 513.3

Atom Count: 51

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 512.0629803
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey RKWHFZDBYBVSJI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 142.74
Topological Polar Surface Area 96.21
Polarizability 45.14
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338418-47-6 $51.35-$86.31$51.35$63.37$86.31
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