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Home > Boronic Acids > 1218790-51-2
1218790-51-2 | 2-Cyano-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-phenyl]-acrylic acid ethyl ester
CAS No: 1218790-51-2 Catalog No: AG00A9ZZ MDL No:MFCD11113044
Product Description
Catalog Number:
AG00A9ZZ
Chemical Name:
2-Cyano-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-phenyl]-acrylic acid ethyl ester
CAS Number:
1218790-51-2
Molecular Formula:
C18H22BNO4
Molecular Weight:
327.1826
MDL Number:
MFCD11113044
IUPAC Name:
ethyl (E)-2-cyano-3-[4-(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)11-13-7-9-15(10-8-13)19-23-17(2,3)18(4,5)24-19/h7-11H,6H2,1-5H3/b14-11+
InChI Key:
DNALFJBPPFISJQ-SDNWHVSQSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Properties
Complexity:
537
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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