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- ChemComp-B4M: tris(bromanyl)methane -

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Basic information

EntryDatabase: PDB chemical components / ID: B4M
Status

MBR

Status: Obsoleted / Replaced by: MBR
NameName: tris(bromanyl)methane / Synonyms: Bromoform

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Chemical information

Composition
Formula: CHBr3 / Number of atoms: 5 / Formula weight: 252.731 / Formal charge: 0
Others

3zf9
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B4M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZF9
History
Create componentDec 11, 2012
Initial releaseFeb 1, 2013
Modify descriptorSep 5, 2014
Obsolete componentSep 14, 2014
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01BrC(Br)Br
CACTVS 3.385BrC(Br)Br
OpenEye OEToolkits 1.9.2C(Br)(Br)Br

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SMILES CANONICAL

CACTVS 3.385BrC(Br)Br
OpenEye OEToolkits 1.9.2C(Br)(Br)Br

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InChI

InChI 1.03InChI=1S/CHBr3/c2-1(3)4/h1H

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InChIKey

InChI 1.03DIKBFYAXUHHXCS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01tribromomethane
OpenEye OEToolkits 1.9.2tris(bromanyl)methane

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PDB entries

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