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20518-35-8 | Methanone, (4-bromo-1-naphthalenyl)[2-(1-naphthalenylmethyl)phenyl]-
CAS No: 20518-35-8 Catalog No: AG0029X7 MDL No:
Product Description
Catalog Number:
AG0029X7
Chemical Name:
Methanone, (4-bromo-1-naphthalenyl)[2-(1-naphthalenylmethyl)phenyl]-
CAS Number:
20518-35-8
Molecular Formula:
C28H19BrO
Molecular Weight:
451.3539
IUPAC Name:
(4-bromonaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanone
InChI:
InChI=1S/C28H19BrO/c29-27-17-16-26(24-14-5-6-15-25(24)27)28(30)23-13-4-2-9-21(23)18-20-11-7-10-19-8-1-3-12-22(19)20/h1-17H,18H2
InChI Key:
GPPQGPHFPYLKLC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c2c1cccc2)Br)c1ccccc1Cc1cccc2c1cccc2
NSC Number:
99546
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.062g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.363g/mol
Monoisotopic Mass:
450.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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