Molecule:100486: Difference between revisions

InChI	1S/C10H7BrN2.2C10H8N2.Ru/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;21-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H;21-8H;
InChI-Key	CLNINCHTGNZSOI-UHFFFAOYSA-N
SMILES	C1C2C3C=CC(Br)=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1

Properties
CID	3939621
CAS	n/a
IUPAC-Name	2-pyridin-2-ylpyridine;ruthenium
Abbreviation	Ru(bpy)3Cl2
Trivialname	tris(22'-bipyridine)ruthenium dichloride
Exact mass	570.110585
Molecular formula	C30H24N6Ru
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	tris(22'-bipyridine)ruthenium dichloride,cs-0082005

Revision as of 13:24, 26 November 2023

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@@ Line 8: / Line 8: @@
 |synonyms=tris(22'-bipyridine)ruthenium dichloride,cs-0082005
 |hasVendors=true
-|moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
+|moleculeKey=CLNINCHTGNZSOI-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-11262313222D
+   -INDIGO-11262313232D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 37 45 0 0 0
+M  V30 COUNTS 38 46 0 0 0
 M  V30 BEGIN ATOM
 M  V30 1 C 7.01072 -3.66709 0.0 0
@@ Line 53: / Line 53: @@
 M  V30 36 C 10.7762 -4.92966 0.0 0
 M  V30 37 Ru 8.40385 -6.13482 0.0 0
+M  V30 38 Br 3.675 -6.975 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 100: / Line 101: @@
 M  V30 44 10 21 37
 M  V30 45 10 15 37
+M  V30 46 1 38 11
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1C2C3C=CC=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1
+|smiles=C1C2C3C=CC(Br)=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1
-|inchi=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;
+|inchi=1S/C10H7BrN2.2C10H8N2.Ru/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H;2*1-8H;
-|inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
+|inchikey=CLNINCHTGNZSOI-UHFFFAOYSA-N
 |width=300px
 |height=200px