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Home > Boronic Acids > 861674-09-1
861674-09-1 | Boronic acid, [2-[2-(1,1-dimethylethyl)phenoxy]-3-pyridinyl]-
CAS No: 861674-09-1 Catalog No: AG004TJA MDL No:
Product Description
Catalog Number:
AG004TJA
Chemical Name:
Boronic acid, [2-[2-(1,1-dimethylethyl)phenoxy]-3-pyridinyl]-
CAS Number:
861674-09-1
Molecular Formula:
C15H18BNO3
Molecular Weight:
271.1193
IUPAC Name:
[2-(2-tert-butylphenoxy)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C15H18BNO3/c1-15(2,3)11-7-4-5-9-13(11)20-14-12(16(18)19)8-6-10-17-14/h4-10,18-19H,1-3H3
InChI Key:
DSSFZHVKGWPHNT-UHFFFAOYSA-N
SMILES:
OB(c1cccnc1Oc1ccccc1C(C)(C)C)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.123g/mol
Monoisotopic Mass:
271.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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