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Home > Boronic Acids > 1415960-55-2
1415960-55-2 | methyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CAS No: 1415960-55-2 Catalog No: AG01EKYD MDL No:
Product Description
Catalog Number:
AG01EKYD
Chemical Name:
methyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CAS Number:
1415960-55-2
Molecular Formula:
C15H19BF2O4
Molecular Weight:
312.1168
IUPAC Name:
methyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C15H19BF2O4/c1-13(2)14(3,4)22-16(21-13)11-8-6-10(7-9-11)15(17,18)12(19)20-5/h6-9H,1-5H3
InChI Key:
KNJUYOCPBWDNPQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.12g/mol
Monoisotopic Mass:
312.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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