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19103-02-7 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-
CAS No: 19103-02-7 Catalog No: AG002F11 MDL No:
Product Description
Catalog Number:
AG002F11
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-
CAS Number:
19103-02-7
Molecular Formula:
C16H12Cl4N6
Molecular Weight:
430.1187
IUPAC Name:
1,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-diimine
InChI:
InChI=1S/C16H12Cl4N6/c17-23-13(21)25(19)16(12-9-5-2-6-10-12)15(23,11-7-3-1-4-8-11)24(18)14(22)26(16)20/h1-10,21-22H
InChI Key:
CQICVMXENWMRGJ-UHFFFAOYSA-N
SMILES:
ClN1C(=N)N(C2(C1(c1ccccc1)N(Cl)C(=N)N2Cl)c1ccccc1)Cl
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.985g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.114g/mol
Monoisotopic Mass:
427.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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