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2097005-50-8 | 2-Cyano-3-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acrylic acid ethyl ester
CAS No: 2097005-50-8 Catalog No: AG01E74V MDL No:
Product Description
Catalog Number:
AG01E74V
Chemical Name:
2-Cyano-3-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acrylic acid ethyl ester
CAS Number:
2097005-50-8
IUPAC Name:
ethyl (E)-2-cyano-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
InChI:
InChI=1S/C18H22BNO4/c1-6-22-16(21)14(12-20)10-13-8-7-9-15(11-13)19-23-17(2,3)18(4,5)24-19/h7-11H,6H2,1-5H3/b14-10+
InChI Key:
XFTJDBANLNTIFV-GXDHUFHOSA-N
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
327.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.187g/mol
Monoisotopic Mass:
327.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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