Chemical Components in the PDB

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AF3 : Summary

Code

AF3

One-letter code

X

Molecule name

ALUMINUM FLUORIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 aluminum trifluoride
OpenEye OEToolkits 1.5.0 trifluoroalumane

Formula

Al F3

Formal charge

0

Molecular weight

83.977 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 F[Al](F)F
SMILES CACTVS 3.341 F[Al](F)F
SMILES OpenEye OEToolkits 1.5.0 F[Al](F)F
Canonical SMILES CACTVS 3.341 F[Al](F)F
Canonical SMILES OpenEye OEToolkits 1.5.0 F[Al](F)F

IUPAC InChI

InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3

IUPAC InChI key

KLZUFWVZNOTSEM-UHFFFAOYSA-K
AF3

wwPDB Information

Atom count

4 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned