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Home > Boronic Acids > 936250-18-9
936250-18-9 | [3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetonitrile
CAS No: 936250-18-9 Catalog No: AG00GV0B MDL No:MFCD06795674
Product Description
Catalog Number:
AG00GV0B
Chemical Name:
[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetonitrile
CAS Number:
936250-18-9
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD06795674
IUPAC Name:
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-6-5-7-12(10-11)17-9-8-16/h5-7,10H,9H2,1-4H3
InChI Key:
DROXVQHBOYMKPQ-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.112g/mol
Monoisotopic Mass:
259.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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