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ethyl 2-[(5Z)-5-({3-bromo-5-chloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

ethyl 2-[(5Z)-5-({3-bromo-5-chloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Formula: C21H16BrClN2O7S

SMILES: CCOC(=O)CN1C(=O)SC(=C/C2=CC(Cl)=C(OCC3=CC=C(C=C3)[N+]([O-])=O)C(Br)=C2)C1=O

IUPAC: ethyl 2-[(5Z)-5-({3-bromo-5-chloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

InChI: InChI=1S/C21H16BrClN2O7S/c1-2-31-18(26)10-24-20(27)17(33-21(24)28)9-13-7-15(22)19(16(23)8-13)32-11-12-3-5-14(6-4-12)25(29)30/h3-9H,2,10-11H2,1H3/b17-9-

Composition: C (45.38%), H (2.90%), Br (14.38%), Cl (6.38%), N (5.04%), O (20.15%), S (5.77%)

Molar Mass: 555.78

Atom Count: 49

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 553.955013
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey YKIPXVHGPGCIEB-MFOYZWKCSA-N
Lipinski's Rule of Five
Molar Refractivity 126.54
Topological Polar Surface Area 116.05
Polarizability 48.19
Ring Count 3
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H16BrClN2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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