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Home > Boronic Acids > 98546-51-1
98546-51-1 | 4-(Methylthio)Phenylboronic Acid
CAS No: 98546-51-1 Catalog No: AG0033TU MDL No:MFCD00093410
Product Description
Catalog Number:
AG0033TU
Chemical Name:
4-(Methylthio)Phenylboronic Acid
CAS Number:
98546-51-1
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
MDL Number:
MFCD00093410
IUPAC Name:
(4-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
IVUHTLFKBDDICS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)B(O)O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.017g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 2-[4-(Methyl-sulfan-yl)phen-yl]naphtho[1,8-de][1,3,2]diaza-borinane. | Acta crystallographica. Section E, Structure reports online 20110601 |
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