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2-chloro-N-{4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl}acetamide

2-chloro-N-{4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl}acetamide

CAS: 861206-48-6

Formula: C13H13ClN2O3S

SMILES: CN1C(=O)SC(CC2=CC=C(NC(=O)CCl)C=C2)C1=O

IUPAC: 2-chloro-N-{4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl}acetamide

InChI: InChI=1/C13H13ClN2O3S/c1-16-12(18)10(20-13(16)19)6-8-2-4-9(5-3-8)15-11(17)7-14/h2-5,10H,6-7H2,1H3,(H,15,17)

Composition: C (49.92%), H (4.19%), Cl (11.33%), N (8.96%), O (15.35%), S (10.25%)

Molar Mass: 312.77

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 312.0335412
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DOYABSPVFGHMIW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.17
Topological Polar Surface Area 66.48
Polarizability 29.99
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 861206-48-6 $51.35-$86.31$51.35$63.37$86.31
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