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Home > Aldehydes > 1112209-48-9
1112209-48-9 | 3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoroMethoxy)benzaldehyde
CAS No: 1112209-48-9 Catalog No: AG0095O8 MDL No:MFCD13181638
Product Description
Catalog Number:
AG0095O8
Chemical Name:
3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoroMethoxy)benzaldehyde
CAS Number:
1112209-48-9
Molecular Formula:
C14H16BF3O4
Molecular Weight:
316.0806
MDL Number:
MFCD13181638
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)10-5-9(8-19)6-11(7-10)20-14(16,17)18/h5-8H,1-4H3
InChI Key:
GFHMALKDEOCONV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.083g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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