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Home > Boronic Acids > 936728-22-2
936728-22-2 | 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS No: 936728-22-2 Catalog No: AG00H1TL MDL No:MFCD12756465
Product Description
Catalog Number:
AG00H1TL
Chemical Name:
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number:
936728-22-2
Molecular Formula:
C13H16BFO4
Molecular Weight:
266.0731
MDL Number:
MFCD12756465
IUPAC Name:
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,1-4H3,(H,16,17)
InChI Key:
NMYIHYHALOHVHV-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.075g/mol
Monoisotopic Mass:
266.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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