2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoic acid


Chemical Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoic acid
CAS Number: 872319-73-8
Product Number: AG019OL1(AGN-PC-0LWT97)
Synonyms:
MDL No: MFCD07339364
Molecular Formula: C15H12N4O2S
Molecular Weight: 312.3464

Identification/Properties


Computed Properties
Molecular Weight:
312.347g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
312.068g/mol
Monoisotopic Mass:
312.068g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
379
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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