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Home > Boronic Acids > 1309981-41-6
1309981-41-6 | Carbamic acid, N-[6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1309981-41-6 Catalog No: AG000V8S MDL No:MFCD08063035
Product Description
Catalog Number:
AG000V8S
Chemical Name:
Carbamic acid, N-[6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1309981-41-6
Molecular Formula:
C17H27BN2O4
Molecular Weight:
334.2183
MDL Number:
MFCD08063035
IUPAC Name:
tert-butyl N-[6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C17H27BN2O4/c1-11-9-10-12(20-14(21)22-15(2,3)4)13(19-11)18-23-16(5,6)17(7,8)24-18/h9-10H,1-8H3,(H,20,21)
InChI Key:
XKTAPHBEFGWOMA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(nc1B1OC(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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