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8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid

8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid

CAS: 1142201-25-9

Formula: C18H11NO2S

SMILES: OC(=O)C1=C2C(C=CC=C2C2=NC3=CC=CC=C3S2)=CC=C1

IUPAC: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid

InChI: InChI=1S/C18H11NO2S/c20-18(21)13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)22-17/h1-10H,(H,20,21)

Composition: C (70.80%), H (3.63%), N (4.59%), O (10.48%), S (10.50%)

Molar Mass: 305.35

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 305.051049772
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RKVDCYAMTNYGFQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.94
Topological Polar Surface Area 50.19
Polarizability 35.8
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142201-25-9 $134.76$134.76
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