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208516-15-8 | Boronic acid, B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-
CAS No: 208516-15-8 Catalog No: AG002JQ7 MDL No:MFCD06659841
Product Description
Catalog Number:
AG002JQ7
Chemical Name:
Boronic acid, B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-
CAS Number:
208516-15-8
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD06659841
IUPAC Name:
[4-(tert-butylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-8(5-7-9)11(13)14/h4-7,12-14H,1-3H3
InChI Key:
BBTSLOMTYZIGGC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NC(C)(C)C)O
Properties
Complexity:
336
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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