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Home > Boronic Acids > 1310385-01-3
1310385-01-3 | 4-Pyridinecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1310385-01-3 Catalog No: AG000VEI MDL No:MFCD09839168
Product Description
Catalog Number:
AG000VEI
Chemical Name:
4-Pyridinecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1310385-01-3
Molecular Formula:
C16H24BNO4
Molecular Weight:
305.1771
MDL Number:
MFCD09839168
IUPAC Name:
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxylate
InChI:
InChI=1S/C16H24BNO4/c1-14(2,3)20-13(19)11-8-9-18-12(10-11)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3
InChI Key:
HWNNRLTZVPCYQU-UHFFFAOYSA-N
SMILES:
O=C(c1ccnc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.181g/mol
Monoisotopic Mass:
305.18g/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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