4-Chloro-3-cyanophenylboronic acid


Chemical Name: 4-Chloro-3-cyanophenylboronic acid
CAS Number: 871332-95-5
Product Number: AG004KM5(AGN-PC-0713JL)
Synonyms:
MDL No:
Molecular Formula: C7H5BClNO2
Molecular Weight: 181.3841

Identification/Properties


Properties
MP:
300-304°C
BP:
380.4 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
181.382g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
181.01g/mol
Monoisotopic Mass:
181.01g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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