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Home > Boronic Acids > 850589-47-8
850589-47-8 | (3-Chloro-4-(dimethylcarbamoyl)phenyl)boronic acid
CAS No: 850589-47-8 Catalog No: AG008GP8 MDL No:MFCD07363772
Product Description
Catalog Number:
AG008GP8
Chemical Name:
(3-Chloro-4-(dimethylcarbamoyl)phenyl)boronic acid
CAS Number:
850589-47-8
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD07363772
IUPAC Name:
[3-chloro-4-(dimethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c1-12(2)9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,1-2H3
InChI Key:
FRYXYHGYFIBOQR-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccc(cc1Cl)B(O)O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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