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Home > Boronic Acids > 872050-52-7
872050-52-7 | (4-(Pyren-1-yl)phenyl)boronic acid
CAS No: 872050-52-7 Catalog No: AG004N2G MDL No:MFCD28130386
Product Description
Catalog Number:
AG004N2G
Chemical Name:
(4-(Pyren-1-yl)phenyl)boronic acid
CAS Number:
872050-52-7
Molecular Formula:
C22H15BO2
Molecular Weight:
322.1643
MDL Number:
MFCD28130386
IUPAC Name:
(4-pyren-1-ylphenyl)boronic acid
InChI:
InChI=1S/C22H15BO2/c24-23(25)18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13,24-25H
InChI Key:
ISMRPUXCQLIMJL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1)O
Properties
Complexity:
473
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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