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Home > Boronic Acids > 1310404-52-4
1310404-52-4 | Carbamic acid, N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1310404-52-4 Catalog No: AG000VF1 MDL No:MFCD08063068
Product Description
Catalog Number:
AG000VF1
Chemical Name:
Carbamic acid, N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1310404-52-4
Molecular Formula:
C17H27BN2O4
Molecular Weight:
334.2183
MDL Number:
MFCD08063068
IUPAC Name:
tert-butyl N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C17H27BN2O4/c1-11-9-12(18-23-16(5,6)17(7,8)24-18)13(19-10-11)20-14(21)22-15(2,3)4/h9-10H,1-8H3,(H,19,20,21)
InChI Key:
OWBJFQOVHAKAFM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ncc(cc1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.223g/mol
Monoisotopic Mass:
334.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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