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Home > Boronic Acids > 603143-27-7
603143-27-7 | 4-(Methanesulfonyl)phenylboronic acid pinacol ester
CAS No: 603143-27-7 Catalog No: AG00EB86 MDL No:MFCD05863921
Product Description
Catalog Number:
AG00EB86
Chemical Name:
4-(Methanesulfonyl)phenylboronic acid pinacol ester
CAS Number:
603143-27-7
Molecular Formula:
C13H19BO4S
Molecular Weight:
282.1636
MDL Number:
MFCD05863921
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9H,1-5H3
InChI Key:
BDOSWBBKOSGKAV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.161g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Selective killing of ATM- or p53-deficient cancer cells through inhibition of ATR. | Nature chemical biology 20110413 |
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