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85600-52-8 | 5,12-Naphthacenedione, 2-chloro-
CAS No: 85600-52-8 Catalog No: AG004U59 MDL No:
Product Description
Catalog Number:
AG004U59
Chemical Name:
5,12-Naphthacenedione, 2-chloro-
CAS Number:
85600-52-8
Molecular Formula:
C18H9ClO2
Molecular Weight:
292.7159
IUPAC Name:
2-chlorotetracene-5,12-dione
InChI:
InChI=1S/C18H9ClO2/c19-12-5-6-13-16(9-12)18(21)15-8-11-4-2-1-3-10(11)7-14(15)17(13)20/h1-9H
InChI Key:
UGWCTNFAIFEBEN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)cc2c(c1)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.718g/mol
Monoisotopic Mass:
292.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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