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Home Boronic acids 3-Cyano-4-isopropoxyphenylboronic acid

3-Cyano-4-isopropoxyphenylboronic acid

CAS No.:
1009303-59-6
Catalog Number:
AG00037Y
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00037Y
Chemical Name:
3-Cyano-4-isopropoxyphenylboronic acid
CAS Number:
1009303-59-6
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD17011847
IUPAC Name:
(3-cyano-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H12BNO3/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,13-14H,1-2H3
InChI Key:
ZMFIWVJZUSQMBE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC(C)C)B(O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties