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128-96-1 | 9,10-Anthracenedione, 4,5-dichloro-1-nitro-
CAS No: 128-96-1 Catalog No: AG000XO7 MDL No:
Product Description
Catalog Number:
AG000XO7
Chemical Name:
9,10-Anthracenedione, 4,5-dichloro-1-nitro-
CAS Number:
128-96-1
Molecular Formula:
C14H5Cl2NO4
Molecular Weight:
322.0998
IUPAC Name:
4,5-dichloro-1-nitroanthracene-9,10-dione
InChI:
InChI=1S/C14H5Cl2NO4/c15-7-3-1-2-6-10(7)14(19)11-8(16)4-5-9(17(20)21)12(11)13(6)18/h1-5H
InChI Key:
KBVOCALKCZCXKK-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1c(ccc2Cl)[N+](=O)[O-])Cl
EC Number:
204-923-1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.96g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.097g/mol
Monoisotopic Mass:
320.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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