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Home > Boronic Acids > 1029439-87-9
1029439-87-9 | 3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS No: 1029439-87-9 Catalog No: AG00H9VW MDL No:
Product Description
Catalog Number:
AG00H9VW
Chemical Name:
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number:
1029439-87-9
Molecular Formula:
C12H15BF2O3
Molecular Weight:
256.0535
IUPAC Name:
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)10-8(14)5-7(16)6-9(10)15/h5-6,16H,1-4H3
InChI Key:
LIKSHYKKNLSAFM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c(F)cc(cc1F)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.056g/mol
Monoisotopic Mass:
256.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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