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3-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

3-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

CAS: 73096-39-6

Formula: C8H6N4O2

SMILES: OC(=O)C1=CC(=CC=C1)C1=NNN=N1

IUPAC: 3-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

InChI: InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)

Composition: C (50.53%), H (3.18%), N (29.46%), O (16.83%)

Molar Mass: 190.162

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 190.049075449
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey MIERACSHCALJOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.68
Topological Polar Surface Area 91.76
Polarizability 18.04
Ring Count 2
Rotatable Bond Count 2

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