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Home > Boronic Acids > 625470-33-9
625470-33-9 | methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No: 625470-33-9 Catalog No: AG00ELDG MDL No:MFCD14560557
Product Description
Catalog Number:
AG00ELDG
Chemical Name:
methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
625470-33-9
Molecular Formula:
C14H18BClO4
Molecular Weight:
296.5543
MDL Number:
MFCD14560557
IUPAC Name:
methyl 2-chloro-5-(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)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,1-5H3
InChI Key:
XXYMDCFDGJPULO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Cl)B1OC(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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