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Home > Boronic Acids > 1257554-93-0
1257554-93-0 | Carbamic acid, N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1257554-93-0 Catalog No: AG000OML MDL No:MFCD10700145
Product Description
Catalog Number:
AG000OML
Chemical Name:
Carbamic acid, N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1257554-93-0
Molecular Formula:
C17H27BN2O4
Molecular Weight:
334.2183
MDL Number:
MFCD10700145
IUPAC Name:
tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl]carbamate
InChI:
InChI=1S/C17H27BN2O4/c1-15(2,3)22-14(21)20-10-12-8-13(11-19-9-12)18-23-16(4,5)17(6,7)24-18/h8-9,11H,10H2,1-7H3,(H,20,21)
InChI Key:
CEWJPZDUJDUMKZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
446
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:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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