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Home > Boronic Acids > 1402238-27-0
1402238-27-0 | Boronic acid, B-(4-chloro-2-methyl-6-quinolinyl)-
CAS No: 1402238-27-0 Catalog No: AG001C66 MDL No:MFCD20441829
Product Description
Catalog Number:
AG001C66
Chemical Name:
Boronic acid, B-(4-chloro-2-methyl-6-quinolinyl)-
CAS Number:
1402238-27-0
Molecular Formula:
C10H9BClNO2
Molecular Weight:
221.4480
MDL Number:
MFCD20441829
IUPAC Name:
(4-chloro-2-methylquinolin-6-yl)boronic acid
InChI:
InChI=1S/C10H9BClNO2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5,14-15H,1H3
InChI Key:
CGWKHIBVGITMJN-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c2c(n1)ccc(c2)B(O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.447g/mol
Monoisotopic Mass:
221.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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