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1073354-05-8 | 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);nicotinonitrile
CAS No: 1073354-05-8 Catalog No: AG0084VS MDL No:MFCD11504968
Product Description
Catalog Number:
AG0084VS
Chemical Name:
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);nicotinonitrile
CAS Number:
1073354-05-8
Molecular Formula:
C13H17BN2O3
Molecular Weight:
260.0967
MDL Number:
MFCD11504968
IUPAC Name:
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-15)11(17-5)16-8-10/h6,8H,1-5H3
InChI Key:
JIDHBYJKXYDCDB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.1g/mol
Monoisotopic Mass:
260.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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