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Home > Boronic Acids > 1309982-63-5
1309982-63-5 | Carbamic acid, N-[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1309982-63-5 Catalog No: AG000V9J MDL No:MFCD08063065
Product Description
Catalog Number:
AG000V9J
Chemical Name:
Carbamic acid, N-[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1309982-63-5
Molecular Formula:
C16H24BN3O6
Molecular Weight:
365.1893
MDL Number:
MFCD08063065
IUPAC Name:
tert-butyl N-[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C16H24BN3O6/c1-14(2,3)24-13(21)19-12-11(8-10(9-18-12)20(22)23)17-25-15(4,5)16(6,7)26-17/h8-9H,1-7H3,(H,18,19,21)
InChI Key:
JVFYGBNUVHDLDJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ncc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.193g/mol
Monoisotopic Mass:
365.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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