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20749-68-2 | 12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro-
CAS No: 20749-68-2 Catalog No: AG002J3H MDL No:MFCD00280862
Product Description
Catalog Number:
AG002J3H
Chemical Name:
12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro-
CAS Number:
20749-68-2
Molecular Formula:
C18H6Cl4N2O
Molecular Weight:
408.0650
MDL Number:
MFCD00280862
IUPAC Name:
5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one
InChI:
InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H
InChI Key:
UBZVRROHBDDCQY-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)n1c2nc2c3c1cccc3ccc2
EC Number:
244-007-9
UNII:
50TEX4842R
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.92g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.059g/mol
Monoisotopic Mass:
405.923g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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