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1-(4-chlorophenyl)-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea

1-(4-chlorophenyl)-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea

Formula: C16H16ClN3O3

SMILES: CCOC1=CC(C=NNC(=O)NC2=CC=C(Cl)C=C2)=CC=C1O

IUPAC: 1-(4-chlorophenyl)-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea

InChI: InChI=1S/C16H16ClN3O3/c1-2-23-15-9-11(3-8-14(15)21)10-18-20-16(22)19-13-6-4-12(17)5-7-13/h3-10,21H,2H2,1H3,(H2,19,20,22)/b18-10+

Composition: C (57.58%), H (4.83%), Cl (10.62%), N (12.59%), O (14.38%)

Molar Mass: 333.77

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.0880191
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey CYNOUVRWOYIFJM-VCHYOVAHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.69
Topological Polar Surface Area 82.95
Polarizability 33.52
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16ClN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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