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Home > Boronic Acids > 1035266-33-1
1035266-33-1 | 3-Cyano-5-methoxyphenylboronic acid,pinacol ester
CAS No: 1035266-33-1 Catalog No: AG0090F3 MDL No:MFCD11855976
Product Description
Catalog Number:
AG0090F3
Chemical Name:
3-Cyano-5-methoxyphenylboronic acid,pinacol ester
CAS Number:
1035266-33-1
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD11855976
IUPAC Name:
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-16)7-12(8-11)17-5/h6-8H,1-5H3
InChI Key:
GBJIGXGUAVDWQS-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
371
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:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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