
API0233096
Hexachlorophene
Hetacillin is an antibiotic.
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CAS No.
70-30-4
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Synonyms
hexachlorophene; 70-30-4; pHisoHex
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CHEMBL ID
CHEMBL496
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Indications
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Molecule Type
Small molecule
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Compound CID
3598
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Molecular Weight (g/mol)
406.9
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Molecular Formula
C13H6Cl6O2
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InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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InChIKey
ACGUYXCXAPNIKK-UHFFFAOYSA-N
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SMILES
C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl
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IUPAC Name
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
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Exact Mass (Da)
405.846945
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Monoisotopic Mass (Da)
403.849896
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