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4-(3,5-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(3,5-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

CAS: 339011-13-1

Formula: C13H10Cl2F3N3O

SMILES: CCNC1=NC(=CC(OC2=CC(Cl)=CC(Cl)=C2)=N1)C(F)(F)F

IUPAC: 4-(3,5-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

InChI: InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-10(13(16,17)18)6-11(21-12)22-9-4-7(14)3-8(15)5-9/h3-6H,2H2,1H3,(H,19,20,21)

Composition: C (44.34%), H (2.86%), Cl (20.13%), F (16.19%), N (11.93%), O (4.54%)

Molar Mass: 352.14

Atom Count: 32

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 351.0153018
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YBCBNGBLQRKHMU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 79.38
Topological Polar Surface Area 47.04
Polarizability 28.8
Ring Count 2
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339011-13-1 $51.35-$86.31$51.35$63.37$86.31
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