Home Boronic Acids 1016641-53-4
1016641-53-4,MFCD19689521
Catalog No.:AA000515
1016641-53-4 | 3-Methyl-6-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-3h-benzooxazol-2-one
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250mg
96%
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$172.00   $120.00
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1g
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$508.00   $356.00
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5g
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$1,524.00   $1,067.00
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Technical Information
Catalog Number:
AA000515
Chemical Name:
3-Methyl-6-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-3h-benzooxazol-2-one
CAS Number:
1016641-53-4
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD19689521
IUPAC Name:
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)18-12(17)16(10)5/h6-8H,1-5H3
InChI Key:
RRKZAEQTNGEFPO-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.111g/mol
Monoisotopic Mass:
275.133g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1016641-53-4 
3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3H)-one 
AK-43801 
DS-14255 
2(3H)-Benzoxazolone, 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2(3H)-one 
3-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one 
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one 
3-Methyl-6-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-3H-benzooxazol-2-one 
SCHEMBL13384699 
KS-00000OLB 
RRKZAEQTNGEFPO-UHFFFAOYSA-N 
MFCD19689521 
AKOS022178987 
ZINC170024222 
CS-W006504 
Literature
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