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Home > Boronic Acids > 1269411-17-7
1269411-17-7 | Benzonitrile, 3-[(acetyloxy)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1269411-17-7 Catalog No: AG000WFI MDL No:
Product Description
Catalog Number:
AG000WFI
Chemical Name:
Benzonitrile, 3-[(acetyloxy)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1269411-17-7
Molecular Formula:
C16H20BNO4
Molecular Weight:
301.1453
IUPAC Name:
[3-cyano-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
InChI:
InChI=1S/C16H20BNO4/c1-11(19)20-10-13-8-6-7-12(9-18)14(13)17-21-15(2,3)16(4,5)22-17/h6-8H,10H2,1-5H3
InChI Key:
JSMZOJJCHMNQTI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1B1OC(C(O1)(C)C)(C)C)COC(=O)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.149g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.149g/mol
Monoisotopic Mass:
301.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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