[3-(cyclohexylcarbamoyl)phenyl]boronic acid


Chemical Name: [3-(cyclohexylcarbamoyl)phenyl]boronic acid
CAS Number: 850567-25-8
Product Number: AG00G354(AGN-PC-0KZT5S)
Synonyms:
MDL No:
Molecular Formula: C13H18BNO3
Molecular Weight: 247.0979

Identification/Properties


Computed Properties
Molecular Weight:
247.101g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
247.138g/mol
Monoisotopic Mass:
247.138g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
279
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:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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