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Home > Boronic Acids > 1217501-53-5
1217501-53-5 | Boronic acid, B-[2-methyl-4-(4-morpholinylsulfonyl)phenyl]-
CAS No: 1217501-53-5 Catalog No: AG0015SY MDL No:MFCD13195673
Product Description
Catalog Number:
AG0015SY
Chemical Name:
Boronic acid, B-[2-methyl-4-(4-morpholinylsulfonyl)phenyl]-
CAS Number:
1217501-53-5
Molecular Formula:
C11H16BNO5S
Molecular Weight:
285.1244
MDL Number:
MFCD13195673
IUPAC Name:
(2-methyl-4-morpholin-4-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO5S/c1-9-8-10(2-3-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChI Key:
NHJXSFKMSZWBNM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)S(=O)(=O)N1CCOCC1)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.121g/mol
Monoisotopic Mass:
285.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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