Home Boronic Acids 1015242-58-6
1015242-58-6,MFCD20441848
Catalog No.:AA0004MK
1015242-58-6 | 4-Methyl-2,3-dihydro-1,4-benzoxazine-6-boronic acid
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100mg
96%
in stock  
$381.00   $267.00
- +
250mg
96%
in stock  
$667.00   $467.00
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1g
96%
in stock  
$1,366.00   $956.00
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Technical Information
Catalog Number:
AA0004MK
Chemical Name:
4-Methyl-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CAS Number:
1015242-58-6
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD20441848
IUPAC Name:
(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-11-4-5-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6,12-13H,4-5H2,1H3
InChI Key:
CKKPNGSUPGAEOV-UHFFFAOYSA-N
SMILES:
CN1CCOc2c1cc(cc2)B(O)O
Properties
Computed Properties
 
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
4-Methyl-2,3-dihydro-1,4-benzoxazine-6-boronic acid 
1015242-58-6 
OR361436 
TC-103228 
Z6358 
B-9162 
(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid 
Boronic acid, B-(3,4-dihydro-4-methyl-2H-1,4-benzoxazin-6-yl)- 
C9H12BNO3 
(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)boronic acid 
ACMC-2097vp 
CTK8A8997 
DTXSID10718341 
ANW-14483 
MFCD20441848 
AKOS025293826 
ZINC169955655 
FCH1602796 
Literature
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