[4-(2H-tetrazol-5-yl)phenyl]boronic acid


Chemical Name: [4-(2H-tetrazol-5-yl)phenyl]boronic acid
CAS Number: 179942-55-3
Product Number: AG00APB5(AGN-PC-07XTCN)
Synonyms:
MDL No: MFCD06739099
Molecular Formula: C7H7BN4O2
Molecular Weight: 189.9671

Identification/Properties


Properties
BP:
480.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
189.969g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
190.066g/mol
Monoisotopic Mass:
190.066g/mol
Topological Polar Surface Area:
94.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
187
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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