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409359-66-6 | Boronic acid, [4-[(2-ethylhexyl)oxy]-2,5-dimethylphenyl]-
CAS No: 409359-66-6 Catalog No: AG0073XG MDL No:
Product Description
Catalog Number:
AG0073XG
Chemical Name:
Boronic acid, [4-[(2-ethylhexyl)oxy]-2,5-dimethylphenyl]-
CAS Number:
409359-66-6
Molecular Formula:
C16H27BO3
Molecular Weight:
278.1948
IUPAC Name:
[4-(2-ethylhexoxy)-2,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C16H27BO3/c1-5-7-8-14(6-2)11-20-16-10-12(3)15(17(18)19)9-13(16)4/h9-10,14,18-19H,5-8,11H2,1-4H3
InChI Key:
ASHGDVXEZCGLDC-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(C)c(cc1C)B(O)O)CC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.199g/mol
Monoisotopic Mass:
278.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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