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Home > Boronic Acids > 871333-02-7
871333-02-7 | Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]-
CAS No: 871333-02-7 Catalog No: AG004KM2 MDL No:MFCD08056366
Product Description
Catalog Number:
AG004KM2
Chemical Name:
Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]-
CAS Number:
871333-02-7
Molecular Formula:
C11H16BNO6S
Molecular Weight:
301.1238
MDL Number:
MFCD08056366
IUPAC Name:
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChI Key:
MCYOYCLLZQYKDW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCOCC1)B(O)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.12g/mol
Monoisotopic Mass:
301.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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