Molecule:100798: Difference between revisions

InChI	1S/2ClH.Co/h2*1H;/q;;+2/p-2
InChI-Key	GVPFVAHMJGGAJG-UHFFFAOYSA-L
SMILES	[Co+2]([Cl-])[Cl-]

Properties
CID	24288
CAS	n/a
IUPAC-Name	bis(chloranyl)cobalt
Abbreviation	n/a
Trivialname	cobaltchloride
Exact mass	128.870899
Molecular formula	Cl2Co
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	cobaltchloride,cobalt chloride (cocl2),mfcd00010938,cobalt(ii) chloride ultra dry,cl2co,cobalt(ii)-chloride,curator_000013,cobalt(ii)chloride hydrate,wln: co g2,cobalt - (ii) - chloride

Revision as of 15:24, 8 March 2024

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@@ Line 12: / Line 12: @@
 |moleculeKey=GVPFVAHMJGGAJG-UHFFFAOYSA-L
 |molOrRxn=
-   -INDIGO-02262415012D
+   -INDIGO-11172313372D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 19: / Line 19: @@
 M  V30 BEGIN ATOM
 M  V30 1 Co 9.475 -6.35 0.0 0 CHG=2
-M  V30 2 Cl 10.2571 -7.33211 0.0 0 CHG=-1
+M  V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
-M  V30 3 Cl 8.15882 -6.65907 0.0 0 CHG=-1
+M  V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 8 1 2
+M  V30 1 1 1 2
-M  V30 2 8 1 3
+M  V30 2 1 1 3
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=[Co+2]([Cl-])[Cl-]
-|smiles=[Co+2](~[Cl-])~[Cl-]
 |inchi=1S/2ClH.Co/h2*1H;/q;;+2/p-2
 |inchikey=GVPFVAHMJGGAJG-UHFFFAOYSA-L