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Home > Boronic Acids > 917380-57-5
917380-57-5 | Boronic acid, B-[3-(1-pyrenyl)phenyl]-
CAS No: 917380-57-5 Catalog No: AG006DSA MDL No:
Product Description
Catalog Number:
AG006DSA
Chemical Name:
Boronic acid, B-[3-(1-pyrenyl)phenyl]-
CAS Number:
917380-57-5
Molecular Formula:
C22H15BO2
Molecular Weight:
322.1643
IUPAC Name:
(3-pyren-1-ylphenyl)boronic acid
InChI:
InChI=1S/C22H15BO2/c24-23(25)18-6-2-5-17(13-18)19-11-9-16-8-7-14-3-1-4-15-10-12-20(19)22(16)21(14)15/h1-13,24-25H
InChI Key:
SCVADUPVEATHAM-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)c1ccc2c3c1ccc1c3c(cc2)ccc1)O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.17g/mol
Monoisotopic Mass:
322.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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