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methyl 2-[(5E)-5-[(3-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

methyl 2-[(5E)-5-[(3-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Formula: C13H10BrNO4S

SMILES: COC(=O)CN1C(=O)SC(=CC2=CC=CC(Br)=C2)C1=O

IUPAC: methyl 2-[(5E)-5-[(3-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

InChI: InChI=1S/C13H10BrNO4S/c1-19-11(16)7-15-12(17)10(20-13(15)18)6-8-3-2-4-9(14)5-8/h2-6H,7H2,1H3/b10-6+

Composition: C (43.84%), H (2.83%), Br (22.43%), N (3.93%), O (17.97%), S (9.00%)

Molar Mass: 356.19

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.951392
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FTVQGTCDYDSHOB-UXBLZVDNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.59
Topological Polar Surface Area 63.68
Polarizability 30.36
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H10BrNO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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