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Home > Boronic Acids > 863868-26-2
863868-26-2 | Benzoic acid, 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester
CAS No: 863868-26-2 Catalog No: AG00IE1F MDL No:
Product Description
Catalog Number:
AG00IE1F
Chemical Name:
Benzoic acid, 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester
CAS Number:
863868-26-2
IUPAC Name:
methyl 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H18BNO4/c1-14(2)15(3,4)21-16(20-14)12-8-10(13(18)19-5)6-7-11(12)9-17/h6-8H,1-5H3
InChI Key:
OIRKTPQIGRCKNH-UHFFFAOYSA-N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.122g/mol
Monoisotopic Mass:
287.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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