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4406-77-3,MFCD00075228
Catalog No.:AA003HRZ
4406-77-3 | 2-Phenyl-1,3,2-dioxaborinane
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1g
98%
in stock  
$36.00   $25.00
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5g
98%
in stock  
$79.00   $55.00
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Technical Information
Catalog Number:
AA003HRZ
Chemical Name:
2-Phenyl-1,3,2-dioxaborinane
CAS Number:
4406-77-3
Molecular Formula:
C9H11BO2
Molecular Weight:
161.9934
MDL Number:
MFCD00075228
IUPAC Name:
2-phenyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChI Key:
QLWMDSAMEIJLQB-UHFFFAOYSA-N
SMILES:
C1COB(OC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
129  
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:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-phenyl-1,3,2-dioxaborinane 
4406-77-3 
ANW-30056 
MFCD00075228 
AKOS015840410 
ZINC169748225 
AB02862 
ACM4406773 
FCH1115557 
Phenylboronic acid 1,3-propanediol ester 
OR360026 
TR-017029 
1,3,2-dioxaborinane, 2-phenyl- 
ST24040995 
X0801 
Phenylboronic acid 1,3-propanediol ester, 99% 
Q-7096 
InChI=1/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H 
C9H11BO2 
CID642685 
Benzeneboronic acid, cyclic trimethylene ester 
AC1LD5K7 
ACMC-1AK13 
SCHEMBL1136933 
2-Phenyl-2-bora-1,3-dioxane 
Phenyl boronic acid glycol ester 
DTXSID60349048 
QLWMDSAMEIJLQB-UHFFFAOYSA-N 
Literature
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