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1217501-46-6 | Boronic acid, B-[4-[(ethylamino)sulfonyl]-2-methylphenyl]-
CAS No: 1217501-46-6 Catalog No: AG0015T4 MDL No:MFCD13195667
Product Description
Catalog Number:
AG0015T4
Chemical Name:
Boronic acid, B-[4-[(ethylamino)sulfonyl]-2-methylphenyl]-
CAS Number:
1217501-46-6
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD13195667
IUPAC Name:
[4-(ethylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-3-11-16(14,15)8-4-5-9(10(12)13)7(2)6-8/h4-6,11-13H,3H2,1-2H3
InChI Key:
QIEIERVEUKRVNM-UHFFFAOYSA-N
SMILES:
CCNS(=O)(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
243.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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