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Home > Boronic Acids > 957061-04-0
957061-04-0 | (3-Chloro-2-morpholinopyridin-4-yl)boronic acid
CAS No: 957061-04-0 Catalog No: AG003BRQ MDL No:MFCD09258746
Product Description
Catalog Number:
AG003BRQ
Chemical Name:
(3-Chloro-2-morpholinopyridin-4-yl)boronic acid
CAS Number:
957061-04-0
Molecular Formula:
C9H12BClN2O3
Molecular Weight:
242.4672
MDL Number:
MFCD09258746
IUPAC Name:
(3-chloro-2-morpholin-4-ylpyridin-4-yl)boronic acid
InChI:
InChI=1S/C9H12BClN2O3/c11-8-7(10(14)15)1-2-12-9(8)13-3-5-16-6-4-13/h1-2,14-15H,3-6H2
InChI Key:
NCQGXSBDQBKPEJ-UHFFFAOYSA-N
SMILES:
OB(c1ccnc(c1Cl)N1CCOCC1)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.466g/mol
Monoisotopic Mass:
242.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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