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Home > Boronic Acids > 1321613-03-9
1321613-03-9 | Benzoic acid, 2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1321613-03-9 Catalog No: AG0010BG MDL No:
Product Description
Catalog Number:
AG0010BG
Chemical Name:
Benzoic acid, 2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1321613-03-9
Molecular Formula:
C14H17BClFO4
Molecular Weight:
314.5448
IUPAC Name:
methyl 2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H17BClFO4/c1-13(2)14(3,4)21-15(20-13)8-6-9(16)11(10(17)7-8)12(18)19-5/h6-7H,1-5H3
InChI Key:
LAJJSDUMRMAAPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.544g/mol
Monoisotopic Mass:
314.089g/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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