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Home > Boronic Acids > 1352413-06-9

1352413-06-9

1352413-06-9 | Methyl 3-cyano-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS No: 1352413-06-9 Catalog No: AG009WKU MDL No:MFCD18373989

Product Description

Catalog Number:
AG009WKU
Chemical Name:
Methyl 3-cyano-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1352413-06-9
Molecular Formula:
C15H18BNO4
Molecular Weight:
287.1187
MDL Number:
MFCD18373989
IUPAC Name:
methyl 3-cyano-5-(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)12-7-10(9-17)6-11(8-12)13(18)19-5/h6-8H,1-5H3
InChI Key:
ZZJCILVEJIMZHG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C

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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