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Home > Boronic Acids > 185950-64-5
185950-64-5 | (5-Chloro-2-pivalamidophenyl);boronic acid
CAS No: 185950-64-5 Catalog No: AG0076BM MDL No:MFCD01114875
Product Description
Catalog Number:
AG0076BM
Chemical Name:
(5-Chloro-2-pivalamidophenyl);boronic acid
CAS Number:
185950-64-5
Molecular Formula:
C11H15BClNO3
Molecular Weight:
255.5057
MDL Number:
MFCD01114875
IUPAC Name:
[5-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C11H15BClNO3/c1-11(2,3)10(15)14-9-5-4-7(13)6-8(9)12(16)17/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key:
GIAJZMJDKJWGNY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)B(O)O)NC(=O)C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.505g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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