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3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-fluoro-4-hydroxyphenyl)urea

3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-fluoro-4-hydroxyphenyl)urea

CAS: 1333390-56-9

Formula: C14H9ClF4N2O2

SMILES: OC1=CC(F)=C(NC(=O)NC2=CC(=C(Cl)C=C2)C(F)(F)F)C=C1

IUPAC: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-fluoro-4-hydroxyphenyl)urea

InChI: InChI=1S/C14H9ClF4N2O2/c15-10-3-1-7(5-9(10)14(17,18)19)20-13(23)21-12-4-2-8(22)6-11(12)16/h1-6,22H,(H2,20,21,23)

Composition: C (48.23%), H (2.60%), Cl (10.17%), F (21.79%), N (8.03%), O (9.18%)

Molar Mass: 348.68

Atom Count: 32

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 348.0288679
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey YNYHPPDKOFJEOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.03
Topological Polar Surface Area 61.36
Polarizability 27.68
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1333390-56-9 $210.12-$1,213.80$210.12$335.58$670.14$1,213.80
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