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Home > Boronic Acids > 850589-48-9
850589-48-9 | (3-Chloro-4-(diethylcarbamoyl)phenyl)boronic acid
CAS No: 850589-48-9 Catalog No: AG004PAB MDL No:MFCD07363773
Product Description
Catalog Number:
AG004PAB
Chemical Name:
(3-Chloro-4-(diethylcarbamoyl)phenyl)boronic acid
CAS Number:
850589-48-9
Molecular Formula:
C11H15BClNO3
Molecular Weight:
255.5057
MDL Number:
MFCD07363773
IUPAC Name:
[3-chloro-4-(diethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BClNO3/c1-3-14(4-2)11(15)9-6-5-8(12(16)17)7-10(9)13/h5-7,16-17H,3-4H2,1-2H3
InChI Key:
CRFVBNBIELTWGR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1Cl)B(O)O)CC
Properties
Complexity:
261
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:
2
Isotope Atom Count:
0
Molecular Weight:
255.505g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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