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Home Boronic Acids 1025707-97-4
1025707-97-4,MFCD08669570
Catalog No.:AA0007NY
1025707-97-4 | 3,4-Difluoro-2-methylphenylboronic acid pinacol ester
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Technical Information
Catalog Number:
AA0007NY
Chemical Name:
3,4-Difluoro-2-methylphenylboronic acid pinacol ester
CAS Number:
1025707-97-4
Molecular Formula:
C13H17BF2O2
Molecular Weight:
254.0807
MDL Number:
MFCD08669570
IUPAC Name:
2-(3,4-difluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BF2O2/c1-8-9(6-7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChI Key:
ZFGTVDVAMFQJOZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c(c1C)F)F
Properties
Computed Properties
 
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.129g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.084g/mol
Monoisotopic Mass:
254.129g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1025707-97-4 
2-(3,4-difluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
AKOS022172818 
ZINC169807452 
AB45923 
FCH2820262 
PS-9713 
AX8280825 
RT-016699 
X1498 
C-0027 
J-000728 
3,4-DIFLUORO-2-METHYLPHENYLBORONIC ACID PINACOL ESTER 
3,4-Difluoro-2-methylbenzeneboronic acid pinacol ester 
2,3-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)toluene 
1,3,2-Dioxaborolane, 2-(3,4-difluoro-2-methylphenyl)-4,4,5,5-tetramethyl- 
C13H17BF2O2 
3,4-Difluoro-2-methylbenzeneboronic acid, pinacol ester 
MFCD08669570 
CTK8E7340 
DTXSID60585989 
ZX-AP011119 
PC7031 
SBB101357 
Literature
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