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Home > Boronic Acids > 1258963-20-0

1258963-20-0

1258963-20-0 | Benzoic acid, 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

CAS No: 1258963-20-0 Catalog No: AG000OWW MDL No:MFCD18383384

Product Description

Catalog Number:
AG000OWW
Chemical Name:
Benzoic acid, 3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1258963-20-0
Molecular Formula:
C15H18BNO4
Molecular Weight:
287.1187
MDL Number:
MFCD18383384
IUPAC Name:
methyl 3-cyano-4-(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)12-7-6-10(13(18)19-5)8-11(12)9-17/h6-8H,1-5H3
InChI Key:
SNAJGLQVZIMTED-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(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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