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Home > Boronic Acids > 121219-08-7
121219-08-7 | 4-Hexyloxyphenylboronic acid
CAS No: 121219-08-7 Catalog No: AG007P49 MDL No:MFCD04039027
Product Description
Catalog Number:
AG007P49
Chemical Name:
4-Hexyloxyphenylboronic acid
CAS Number:
121219-08-7
Molecular Formula:
C12H19BO3
Molecular Weight:
222.0885
MDL Number:
MFCD04039027
IUPAC Name:
(4-hexoxyphenyl)boronic acid
InChI:
InChI=1S/C12H19BO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3
InChI Key:
XYNVLFGOOWUKQS-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.091g/mol
Monoisotopic Mass:
222.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Efficient synthesis and properties of novel near-infrared electrochromic anthraquinone imides. | Organic letters 20080221 |
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