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150691-04-6 | Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-
CAS No: 150691-04-6 Catalog No: AG001MT0 MDL No:MFCD01318943
Product Description
Catalog Number:
AG001MT0
Chemical Name:
Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-
CAS Number:
150691-04-6
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD01318943
IUPAC Name:
[2-(tert-butylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-7-5-4-6-8(9)11(13)14/h4-7,12-14H,1-3H3
InChI Key:
TUEIURIZJQRMQE-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1S(=O)(=O)NC(C)(C)C)O
EC Number:
604-746-3
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.111g/mol
Monoisotopic Mass:
257.089g/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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