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methyl 2-bromo-1,3-benzothiazole-5-carboxylate

methyl 2-bromo-1,3-benzothiazole-5-carboxylate

Formula: C9H6BrNO2S

SMILES: COC(=O)C1=CC=C2SC(Br)=NC2=C1

IUPAC: methyl 2-bromo-1,3-benzothiazole-5-carboxylate

InChI: InChI=1S/C9H6BrNO2S/c1-13-8(12)5-2-3-7-6(4-5)11-9(10)14-7/h2-4H,1H3

Composition: C (39.73%), H (2.22%), Br (29.36%), N (5.15%), O (11.76%), S (11.78%)

Molar Mass: 272.12

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 270.930263
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LEFJUPCEPDWQMA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.78
Topological Polar Surface Area 39.19
Polarizability 23.01
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C9H6BrNO2S $142.12-$805.97$142.12$187.00$299.20$805.97
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