3,4-dihydro-2H-1,4-benzoxazin-6-ylboronic acid


Chemical Name: 3,4-dihydro-2H-1,4-benzoxazin-6-ylboronic acid
CAS Number: 338454-17-4
Product Number: AG007IN7(AGN-PC-0BGI9O)
Synonyms:
MDL No:
Molecular Formula: C8H10BNO3
Molecular Weight: 178.9809

Identification/Properties


Computed Properties
Molecular Weight:
178.982g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.075g/mol
Monoisotopic Mass:
179.075g/mol
Topological Polar Surface Area:
61.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
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
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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