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Home > Boronic Acids > 850589-46-7
850589-46-7 | 3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
CAS No: 850589-46-7 Catalog No: AG0038ED MDL No:MFCD07363771
Product Description
Catalog Number:
AG0038ED
Chemical Name:
3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
CAS Number:
850589-46-7
Molecular Formula:
C11H15BClNO3
Molecular Weight:
255.5057
MDL Number:
MFCD07363771
IUPAC Name:
[4-(tert-butylcarbamoyl)-3-chlorophenyl]boronic acid
InChI:
InChI=1S/C11H15BClNO3/c1-11(2,3)14-10(15)8-5-4-7(12(16)17)6-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key:
RFTCLOPBDGFPDR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NC(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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