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(2Z)-3-{2-[(2-fluorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

(2Z)-3-{2-[(2-fluorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Formula: C19H16FN3O3S

SMILES: CC1=NN=C(N1)SC(=C/C1=CC=CC=C1OCC1=CC=CC=C1F)C(O)=O

IUPAC: (2Z)-3-{2-[(2-fluorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

InChI: InChI=1S/C19H16FN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-13-6-3-5-9-16(13)26-11-14-7-2-4-8-15(14)20/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-

Composition: C (59.21%), H (4.18%), F (4.93%), N (10.90%), O (12.45%), S (8.32%)

Molar Mass: 385.41

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 385.089640724
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BJVRHIOABJBIMW-YVLHZVERSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.11
Topological Polar Surface Area 88.1
Polarizability 38.3
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16FN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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