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Home > Boronic Acids > 850589-40-1

850589-40-1

850589-40-1 | (3-Chloro-4-(ethylcarbamoyl)phenyl)boronic acid

CAS No: 850589-40-1 Catalog No: AG004YHQ MDL No:MFCD07363767

Product Description

Catalog Number:
AG004YHQ
Chemical Name:
(3-Chloro-4-(ethylcarbamoyl)phenyl)boronic acid
CAS Number:
850589-40-1
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD07363767
IUPAC Name:
[3-chloro-4-(ethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c1-2-12-9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
InChI Key:
HJDYETAQUCUPFP-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1Cl)B(O)O

Properties

Complexity:
227  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/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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