Home Boronic acids (4-(pentan-3-ylcarbamoyl)phenyl)boronic acid

(4-(pentan-3-ylcarbamoyl)phenyl)boronic acid

CAS No.:
956894-13-6
Catalog Number:
AG01FNWJ
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
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Product Description
Catalog Number:
AG01FNWJ
Chemical Name:
(4-(pentan-3-ylcarbamoyl)phenyl)boronic acid
CAS Number:
956894-13-6
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
IUPAC Name:
[4-(pentan-3-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-3-11(4-2)14-12(15)9-5-7-10(8-6-9)13(16)17/h5-8,11,16-17H,3-4H2,1-2H3,(H,14,15)
InChI Key:
KJQGCBCLYZDJGA-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)c1ccc(cc1)B(O)O)CC
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties