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HLT : Summary
Code
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HLT
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One-letter code
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X
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Molecule name
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2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
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Systematic names
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Formula
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C2 H Br Cl F3
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Formal charge
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0
|
Molecular weight
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197.382 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
BrC(Cl)C(F)(F)F |
SMILES
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CACTVS |
3.341 |
FC(F)(F)[CH](Cl)Br |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(F)(F)F)(Cl)Br |
Canonical SMILES
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CACTVS |
3.341 |
FC(F)(F)[C@H](Cl)Br |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
[C@@H](C(F)(F)F)(Cl)Br |
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IUPAC InChI | InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1 |
IUPAC InChI key | BCQZXOMGPXTTIC-SFOWXEAESA-N |
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wwPDB Information |
Atom count
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8 (7 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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2000-08-29
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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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