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Home > Boronic Acids > 1256359-92-8
1256359-92-8 | Acetonitrile, 2-[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
CAS No: 1256359-92-8 Catalog No: AG000O70 MDL No:MFCD16295109
Product Description
Catalog Number:
AG000O70
Chemical Name:
Acetonitrile, 2-[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
CAS Number:
1256359-92-8
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD16295109
IUPAC Name:
2-[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-6-11(18-5)10-13(12)19-9-8-17/h6-7,10H,9H2,1-5H3
InChI Key:
DMOOJGXHWRDFCS-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(OC)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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