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(Z)-({3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxyphenyl}methylidene)aminourea

(Z)-({3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxyphenyl}methylidene)aminourea

Formula: C13H11ClFN5O3

SMILES: COC1=CC=C(C=N/NC(N)=O)C=C1OC1=NC(Cl)=NC=C1F

IUPAC: [(Z)-({3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxyphenyl}methylidene)amino]urea

InChI: InChI=1S/C13H11ClFN5O3/c1-22-9-3-2-7(5-18-20-13(16)21)4-10(9)23-11-8(15)6-17-12(14)19-11/h2-6H,1H3,(H3,16,20,21)/b18-5-

Composition: C (45.96%), H (3.26%), Cl (10.44%), F (5.59%), N (20.62%), O (14.13%)

Molar Mass: 339.71

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 339.0534451
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey MEGXQIJONGLAIF-DVZOWYKESA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.64
Topological Polar Surface Area 111.72
Polarizability 30.04
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H11ClFN5O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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