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Home > Boronic Acids > 1171897-39-4
1171897-39-4 | Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1171897-39-4 Catalog No: AG000DWB MDL No:MFCD13195277
Product Description
Catalog Number:
AG000DWB
Chemical Name:
Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1171897-39-4
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD13195277
IUPAC Name:
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-8-11(9-18-10-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,19,20)
InChI Key:
BYXPGPHNPNIEPY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.196g/mol
Monoisotopic Mass:
320.191g/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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