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Home > Boronic Acids > 866625-02-7
866625-02-7 | 5-Chloro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid methyl ester
CAS No: 866625-02-7 Catalog No: AG019EV1 MDL No:MFCD16996244
Product Description
Catalog Number:
AG019EV1
Chemical Name:
5-Chloro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid methyl ester
CAS Number:
866625-02-7
Molecular Formula:
C14H18BClO4
Molecular Weight:
296.5543
MDL Number:
MFCD16996244
IUPAC Name:
methyl 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)11-7-6-9(16)8-10(11)12(17)18-5/h6-8H,1-5H3
InChI Key:
DTQHAEYLCILHNJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.554g/mol
Monoisotopic Mass:
296.099g/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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