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F81 : Summary
Code
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F81
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One-letter code
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X
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Molecule name
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2-bromo-6-methoxyphenol
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Systematic names
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Formula
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C7 H7 Br O2
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Formal charge
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0
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Molecular weight
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203.033 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1(c(cccc1OC)Br)O |
SMILES
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CACTVS |
3.385 |
COc1cccc(Br)c1O |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
COc1cccc(c1O)Br |
Canonical SMILES
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CACTVS |
3.385 |
COc1cccc(Br)c1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cccc(c1O)Br |
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IUPAC InChI | InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3 |
IUPAC InChI key | WEUFQISIJPSTBM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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17 (10 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
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No
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Standard parent
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Not Assigned
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Defined at
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2018-03-12
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Last modified at
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2019-03-15
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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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