Home Nitriles 3-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No.:
1116096-84-4
Catalog Number:
AG00PIPT
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
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Product Description
Catalog Number:
AG00PIPT
Chemical Name:
3-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1116096-84-4
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD22494884
IUPAC Name:
3-methoxy-2-(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)12-10(9-16)7-6-8-11(12)17-5/h6-8H,1-5H3
InChI Key:
RLKFZFTXEPPYIA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1B1OC(C(O1)(C)C)(C)C)C#N
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
Properties