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294881-47-3 | Pyrene, 1-bromo-6-phenyl-
CAS No: 294881-47-3 Catalog No: AG002YJM MDL No:
Product Description
Catalog Number:
AG002YJM
Chemical Name:
Pyrene, 1-bromo-6-phenyl-
CAS Number:
294881-47-3
Molecular Formula:
C22H13Br
Molecular Weight:
357.2426
IUPAC Name:
1-bromo-6-phenylpyrene
InChI:
InChI=1S/C22H13Br/c23-20-13-9-16-7-11-18-17(14-4-2-1-3-5-14)10-6-15-8-12-19(20)22(16)21(15)18/h1-13H
InChI Key:
UHPILNVIPDIPLG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c3c1ccc1c3c(cc2)c(cc1)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.02g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.25g/mol
Monoisotopic Mass:
356.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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