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Home > Boronic Acids > 956894-13-6
956894-13-6 | (4-(pentan-3-ylcarbamoyl)phenyl)boronic acid
CAS No: 956894-13-6 Catalog No: AG01FNWJ MDL No:
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
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