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19997-07-0 | Benz[a]anthracene, 7-(4-bromo-1-naphthalenyl)-
CAS No: 19997-07-0 Catalog No: AG002CHA MDL No:
Product Description
Catalog Number:
AG002CHA
Chemical Name:
Benz[a]anthracene, 7-(4-bromo-1-naphthalenyl)-
CAS Number:
19997-07-0
Molecular Formula:
C28H17Br
Molecular Weight:
433.3386
IUPAC Name:
7-(4-bromonaphthalen-1-yl)benzo[a]anthracene
InChI:
InChI=1S/C28H17Br/c29-27-16-15-24(22-11-5-6-12-23(22)27)28-21-10-4-2-8-19(21)17-26-20-9-3-1-7-18(20)13-14-25(26)28/h1-17H
InChI Key:
LTTFPGWPEUNETA-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1cccc2)c1c2ccccc2cc2c1ccc1c2cccc1
NSC Number:
99602
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.051g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.348g/mol
Monoisotopic Mass:
432.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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