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Home > Boronic Acids > 478375-33-6
478375-33-6 | Carbamic acid,[[2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 478375-33-6 Catalog No: AG00I8PL MDL No:MFCD13195068
Product Description
Catalog Number:
AG00I8PL
Chemical Name:
Carbamic acid,[[2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
478375-33-6
Molecular Formula:
C19H31BN2O5
Molecular Weight:
378.2708
MDL Number:
MFCD13195068
IUPAC Name:
tert-butyl N-[[2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl]carbamate
InChI:
InChI=1S/C19H31BN2O5/c1-9-24-15-13(11-22-16(23)25-17(2,3)4)10-14(12-21-15)20-26-18(5,6)19(7,8)27-20/h10,12H,9,11H2,1-8H3,(H,22,23)
InChI Key:
YLFGCYKNOSRJQY-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1CNC(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.233g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.276g/mol
Monoisotopic Mass:
378.233g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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