Home Boronic Acids 40218-49-3
40218-49-3,MFCD00799577
Catalog No.:AA003HTU
40218-49-3 | 2-Propyl-1,3,2-benzodioxaborole
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1g
95%
in stock  
$86.00   $60.00
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5g
95%
in stock  
$374.00   $262.00
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10g
95%
in stock  
$635.00   $445.00
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25g
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$1,270.00   $889.00
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  • Technical Information
  • Properties
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HTU
Chemical Name:
2-Propyl-1,3,2-benzodioxaborole
CAS Number:
40218-49-3
Molecular Formula:
C9H11BO2
Molecular Weight:
161.9934
MDL Number:
MFCD00799577
IUPAC Name:
2-propyl-1,3,2-benzodioxaborole
InChI:
InChI=1S/C9H11BO2/c1-2-7-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3
InChI Key:
VIKLNEIFCBHZLL-UHFFFAOYSA-N
SMILES:
CCCB1Oc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.995g/mol
Monoisotopic Mass:
162.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-Propyl-1,3,2-benzodioxaborole 
40218-49-3 
1,3,2-Benzodioxaborole,2-propyl- 
ANW-29326 
MFCD00799577 
AKOS015839588 
ZINC169876653 
AB07255 
FCH1117642 
OR360027 
1-Propylboronic acid catechol ester, 97% 
TR-016061 
2-Propylbenzo[d][1,3,2]dioxaborole 
2-PROPYL-2H-1,3,2-BENZODIOXABOROLE 
B-8158 
I01-11407 
CID5128447 
8-propyl-7,9-dioxa-8-borabicyclo[4.3.0]nona-1,3,5-triene 
AC1NNWPM 
ACMC-209jc0 
SCHEMBL3457214 
CTK4I2671 
DTXSID30408590 
VIKLNEIFCBHZLL-UHFFFAOYSA-N 
1-Propylboronic acid catechol ester 
Literature
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