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2944-21-0 | 9,10-Anthracenedione, 1-[(3-chlorophenyl)amino]-
CAS No: 2944-21-0 Catalog No: AG002YE1 MDL No:
Product Description
Catalog Number:
AG002YE1
Chemical Name:
9,10-Anthracenedione, 1-[(3-chlorophenyl)amino]-
CAS Number:
2944-21-0
Molecular Formula:
C20H12ClNO2
Molecular Weight:
333.7678
IUPAC Name:
1-(3-chloroanilino)anthracene-9,10-dione
InChI:
InChI=1S/C20H12ClNO2/c21-12-5-3-6-13(11-12)22-17-10-4-9-16-18(17)20(24)15-8-2-1-7-14(15)19(16)23/h1-11,22H
InChI Key:
BASGIVGQAMRHRZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1cccc2c1C(=O)c1c(C2=O)cccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.771g/mol
Monoisotopic Mass:
333.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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