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Home > Boronic Acids > 951233-64-0
951233-64-0 | (3-((Neopentyloxy)sulfonyl)phenyl)boronic acid
CAS No: 951233-64-0 Catalog No: AG0066DK MDL No:MFCD12025962
Product Description
Catalog Number:
AG0066DK
Chemical Name:
(3-((Neopentyloxy)sulfonyl)phenyl)boronic acid
CAS Number:
951233-64-0
Molecular Formula:
C11H17BO5S
Molecular Weight:
272.1257
MDL Number:
MFCD12025962
IUPAC Name:
[3-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO5S/c1-11(2,3)8-17-18(15,16)10-6-4-5-9(7-10)12(13)14/h4-7,13-14H,8H2,1-3H3
InChI Key:
DSIKBUNPVSSUEU-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)(=O)OCC(C)(C)C)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.122g/mol
Monoisotopic Mass:
272.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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