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2-Chloro-6-fluoro-3-methoxybenzonitrile
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
185.00436968
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₅ClFNO
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canonical SMILES
COC1=C(C(=C(C=C1)F)C#N)Cl
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melting point
102.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C8H5ClFNO/c1-12-7-3-2-6(10)5(4-11)8(7)9/h2-3H,1H3
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InChIKey
SKNWUBSKXNQZDD-UHFFFAOYSA-N
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CAS Registry Number
886761-59-7
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PubChem CID
17750817
1 reference
matched by identifier from
InChIKey
InChIKey
SKNWUBSKXNQZDD-UHFFFAOYSA-N
UniChem compound ID
13481666
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90590703
1 reference
matched by identifier from
InChIKey
InChIKey
SKNWUBSKXNQZDD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40541467
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