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2498-74-0 | Benz[a]anthracene, 7-(1-naphthalenyl)-
CAS No: 2498-74-0 Catalog No: AG002Q3J MDL No:
Product Description
Catalog Number:
AG002Q3J
Chemical Name:
Benz[a]anthracene, 7-(1-naphthalenyl)-
CAS Number:
2498-74-0
Molecular Formula:
C28H18
Molecular Weight:
354.4425
IUPAC Name:
7-naphthalen-1-ylbenzo[a]anthracene
InChI:
InChI=1S/C28H18/c1-4-12-22-19(8-1)11-7-15-25(22)28-24-14-6-3-10-21(24)18-27-23-13-5-2-9-20(23)16-17-26(27)28/h1-18H
InChI Key:
RSAXKSGXULDTCJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2c2cccc3c2cccc3)ccc2c1cccc2
NSC Number:
99545
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.141g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.452g/mol
Monoisotopic Mass:
354.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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