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151447-45-9 | Acenaphtho[1,2-b]quinoxaline, 3-bromo-
CAS No: 151447-45-9 Catalog No: AG001NCQ MDL No:
Product Description
Catalog Number:
AG001NCQ
Chemical Name:
Acenaphtho[1,2-b]quinoxaline, 3-bromo-
CAS Number:
151447-45-9
Molecular Formula:
C18H11BrN2
Molecular Weight:
335.1973
IUPAC Name:
3-bromo-7,12-dihydroacenaphthyleno[1,2-b]quinoxaline
InChI:
InChI=1S/C18H11BrN2/c19-13-9-8-12-16-10(13)4-3-5-11(16)17-18(12)21-15-7-2-1-6-14(15)20-17/h1-9,20-21H
InChI Key:
CBJLQUJDDSSPJI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c3c1cccc3c1c2nc2c(n1)cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.204g/mol
Monoisotopic Mass:
334.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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