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117-09-9 | 9,10-Anthracenedione, 1-amino-8-chloro-
CAS No: 117-09-9 Catalog No: AG000DHX MDL No:
Product Description
Catalog Number:
AG000DHX
Chemical Name:
9,10-Anthracenedione, 1-amino-8-chloro-
CAS Number:
117-09-9
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
IUPAC Name:
1-amino-8-chloroanthracene-9,10-dione
InChI:
InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H,16H2
InChI Key:
JMNNJCADZZBEOW-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1cccc2Cl)N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.673g/mol
Monoisotopic Mass:
257.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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