Home Boronic acids (3,5-diMethyl-4-(Morpholinosulfonyl)phenyl)boronic acid

(3,5-diMethyl-4-(Morpholinosulfonyl)phenyl)boronic acid

CAS No.:
1704067-46-8
Catalog Number:
AG00AR9W
Molecular Formula:
C12H18BNO5S
Molecular Weight:
299.1510
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Product Description
Catalog Number:
AG00AR9W
Chemical Name:
(3,5-diMethyl-4-(Morpholinosulfonyl)phenyl)boronic acid
CAS Number:
1704067-46-8
Molecular Formula:
C12H18BNO5S
Molecular Weight:
299.1510
MDL Number:
MFCD28400280
IUPAC Name:
(3,5-dimethyl-4-morpholin-4-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C12H18BNO5S/c1-9-7-11(13(15)16)8-10(2)12(9)20(17,18)14-3-5-19-6-4-14/h7-8,15-16H,3-6H2,1-2H3
InChI Key:
DPWCNHDAUCGNNQ-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)S(=O)(=O)N1CCOCC1)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:
299.1g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.148g/mol
Monoisotopic Mass:
299.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties