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Home > Boronic Acids > 1198615-88-1
1198615-88-1 | Benzeneacetic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1198615-88-1 Catalog No: AG000PSE MDL No:MFCD18383985
Product Description
Catalog Number:
AG000PSE
Chemical Name:
Benzeneacetic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1198615-88-1
Molecular Formula:
C16H22BFO4
Molecular Weight:
308.1529
MDL Number:
MFCD18383985
IUPAC Name:
ethyl 2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C16H22BFO4/c1-6-20-14(19)10-11-7-8-13(18)12(9-11)17-21-15(2,3)16(4,5)22-17/h7-9H,6,10H2,1-5H3
InChI Key:
BHCZXEKKIGVXRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.156g/mol
Monoisotopic Mass:
308.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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