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BBX : Summary
Code
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BBX
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One-letter code
|
X
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Molecule name
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1-BROMOETHANE
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Systematic names
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Formula
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C2 H5 Br
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Formal charge
|
0
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Molecular weight
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108.965 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
BrCC |
SMILES
|
CACTVS |
3.341 |
CCBr |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCBr |
Canonical SMILES
|
CACTVS |
3.341 |
CCBr |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCBr |
|
IUPAC InChI | InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 |
IUPAC InChI key | RDHPKYGYEGBMSE-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
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8 (3 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
|
No
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Standard parent
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Not Assigned
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Defined at
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2004-11-01
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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