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Home Boronic acids 3-(2-Cyanopropan-2-yl)phenylboronic acid

3-(2-Cyanopropan-2-yl)phenylboronic acid

CAS No.:
885067-95-8
Catalog Number:
AG00489P
Molecular Formula:
C10H12BNO2
Molecular Weight:
189.0188
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$275
- +
1g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG00489P
Chemical Name:
3-(2-Cyanopropan-2-yl)phenylboronic acid
CAS Number:
885067-95-8
Molecular Formula:
C10H12BNO2
Molecular Weight:
189.0188
MDL Number:
MFCD20441830
IUPAC Name:
[3-(2-cyanopropan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO2/c1-10(2,7-12)8-4-3-5-9(6-8)11(13)14/h3-6,13-14H,1-2H3
InChI Key:
WHBIOYORDBEGAI-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)B(O)O)(C)C
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.096g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.021g/mol
Monoisotopic Mass:
189.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties