Home Nitriles 4-Amino-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-Amino-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No.:
1421322-57-7
Catalog Number:
AG00HWCU
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
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Product Description
Catalog Number:
AG00HWCU
Chemical Name:
4-Amino-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1421322-57-7
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
IUPAC Name:
4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)11-7-10(16)6-5-9(11)8-15/h5-7H,16H2,1-4H3
InChI Key:
KGDMVKJUKFLWST-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)N
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.138g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.101g/mol
Monoisotopic Mass:
244.138g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties