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Home > Boronic Acids > 1218790-25-0
1218790-25-0 | Benzoic acid, 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1218790-25-0 Catalog No: AG001692 MDL No:MFCD15143607
Product Description
Catalog Number:
AG001692
Chemical Name:
Benzoic acid, 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1218790-25-0
Molecular Formula:
C17H23BClFO4
Molecular Weight:
356.6245
MDL Number:
MFCD15143607
IUPAC Name:
tert-butyl 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C17H23BClFO4/c1-15(2,3)22-14(21)10-8-13(20)11(9-12(10)19)18-23-16(4,5)17(6,7)24-18/h8-9H,1-7H3
InChI Key:
RUXDEXGOYVGKQO-UHFFFAOYSA-N
SMILES:
Fc1cc(c(cc1B1OC(C(O1)(C)C)(C)C)Cl)C(=O)OC(C)(C)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.625g/mol
Monoisotopic Mass:
356.136g/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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