1H-Indole-1-carboxylic acid, borono-, 1-(1,1-dimethylethyl) ester


Chemical Name: 1H-Indole-1-carboxylic acid, borono-, 1-(1,1-dimethylethyl) ester
CAS Number: 213318-44-6
Product Number: AG0035D0(AGN-PC-0KKVC4)
Synonyms:
MDL No: MFCD02093045
Molecular Formula: C13H16BNO4
Molecular Weight: 261.0814

Identification/Properties


Properties
MP:
100 °C
BP:
443.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
261.084g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
261.117g/mol
Monoisotopic Mass:
261.117g/mol
Topological Polar Surface Area:
71.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
342
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-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:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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