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Home Boronic acids 2-Amino-3-cyanophenylboronic acid pinacol ester

2-Amino-3-cyanophenylboronic acid pinacol ester

CAS No.:
1352575-06-4
Catalog Number:
AG00HTZS
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$325
- +
1g
98%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG00HTZS
Chemical Name:
2-Amino-3-cyanophenylboronic acid pinacol ester
CAS Number:
1352575-06-4
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
MDL Number:
MFCD22570827
IUPAC Name:
2-amino-3-(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)10-7-5-6-9(8-15)11(10)16/h5-7H,16H2,1-4H3
InChI Key:
AGWCTPAXVSIGRY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1N)B1OC(C(O1)(C)C)(C)C
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