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4-{[2-(1,3-benzothiazol-2-yl)diazen-1-yl]methyl}benzoic acid

4-{[2-(1,3-benzothiazol-2-yl)diazen-1-yl]methyl}benzoic acid

Formula: C15H11N3O2S

SMILES: OC(=O)C1=CC=C(CN=NC2=NC3=CC=CC=C3S2)C=C1

IUPAC: 4-{[2-(1,3-benzothiazol-2-yl)diazen-1-yl]methyl}benzoic acid

InChI: InChI=1S/C15H11N3O2S/c19-14(20)11-7-5-10(6-8-11)9-16-18-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9H2,(H,19,20)

Composition: C (60.59%), H (3.73%), N (14.13%), O (10.76%), S (10.78%)

Molar Mass: 297.33

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 297.05719778
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ZUTWMZONADIVCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81
Topological Polar Surface Area 74.91
Polarizability 31.08
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H11N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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