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2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide

2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide

Formula: C17H13BrClNO4

SMILES: ClC1=CC=CC=C1C(=O)C1=CC2=C(OCCO2)C=C1NC(=O)CBr

IUPAC: 2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide

InChI: InChI=1S/C17H13BrClNO4/c18-9-16(21)20-13-8-15-14(23-5-6-24-15)7-11(13)17(22)10-3-1-2-4-12(10)19/h1-4,7-8H,5-6,9H2,(H,20,21)

Composition: C (49.72%), H (3.19%), Br (19.46%), Cl (8.63%), N (3.41%), O (15.58%)

Molar Mass: 410.65

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 408.971649
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PTPLTZKWMRKSHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95
Topological Polar Surface Area 64.63
Polarizability 35.88
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13BrClNO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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