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Home > Boronic Acids > 741709-69-3
741709-69-3 | 3-Pyridinecarboxylic acid,2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 741709-69-3 Catalog No: AG00ICHH MDL No:MFCD12923435
Product Description
Catalog Number:
AG00ICHH
Chemical Name:
3-Pyridinecarboxylic acid,2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
741709-69-3
Molecular Formula:
C14H19BClNO4
Molecular Weight:
311.5690
MDL Number:
MFCD12923435
IUPAC Name:
ethyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C14H19BClNO4/c1-6-19-12(18)10-7-9(8-17-11(10)16)15-20-13(2,3)14(4,5)21-15/h7-8H,6H2,1-5H3
InChI Key:
DWVMXIMUMXMRJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cnc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.569g/mol
Monoisotopic Mass:
311.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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