[5-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid


Chemical Name: [5-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CAS Number: 475102-15-9
Product Number: AG00I8NX(AGN-PC-0L7PQC)
Synonyms:
MDL No:
Molecular Formula: B2H4
Molecular Weight: 25.6538

Identification/Properties


Properties
MP:
260-270 °C
BP:
509.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
286.094g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
286.112g/mol
Monoisotopic Mass:
286.112g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
454
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-H335-H319
Precautionary Statements:
P305+P351+P338-P405-P261-P280-P304+P340
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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