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4-(1,2,3-thiadiazol-4-yl)benzoic acid

4-(1,2,3-thiadiazol-4-yl)benzoic acid

CAS: 187999-31-1

Formula: C9H6N2O2S

SMILES: OC(=O)C1=CC=C(C=C1)C1=CSN=N1

IUPAC: 4-(1,2,3-thiadiazol-4-yl)benzoic acid

InChI: InChI=1S/C9H6N2O2S/c12-9(13)7-3-1-6(2-4-7)8-5-14-11-10-8/h1-5H,(H,12,13)

Composition: C (52.42%), H (2.93%), N (13.58%), O (15.52%), S (15.55%)

Molar Mass: 206.22

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 206.014998615
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZSLQSWJLGAVDIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.38
Topological Polar Surface Area 63.08
Polarizability 20.55
Ring Count 2
Rotatable Bond Count 2

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