Name: Name:3-(1H-Tetrazol-5-yl)benzoic Acid
Brand: Angene
SKU: AG003HZH
Rating: 90 (10 reviews)

3-(1H-Tetrazol-5-yl)benzoic Acid

CAS No.:

73096-39-6

Catalog Number:

AG003HZH

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

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Purity

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Product Description

Catalog Number:

AG003HZH

Chemical Name:

3-(1H-Tetrazol-5-yl)benzoic Acid

CAS Number:

73096-39-6

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

MDL Number:

MFCD11847683

IUPAC Name:

3-(2H-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)

InChI Key:

MIERACSHCALJOM-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)c1nnn[nH]1

NSC Number:

338094

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.162g/mol

Monoisotopic Mass:

190.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.	Inorganic chemistry 20090420

Properties