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(Q72511831)
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English
2-Trifluoromethyl-5-bromoanisole
chemical compound
2-Methoxy-4-bromobenzotrifluoride
4-Bromo-2-methoxy-1-trifluoromethylbenzene
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
253.955411572
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₆BrF₃O
0 references
canonical SMILES
COC1=C(C=CC(=C1)Br)C(F)(F)F
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Identifiers
InChI
InChI=1S/C8H6BrF3O/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3
0 references
InChIKey
SNOPVNVACJOOAY-UHFFFAOYSA-N
0 references
CAS Registry Number
944805-63-4
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PubChem CID
68990569
1 reference
matched by identifier from
InChIKey
InChIKey
SNOPVNVACJOOAY-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL4293037
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SNOPVNVACJOOAY-UHFFFAOYSA-N
UniChem compound ID
55561481
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30739492
1 reference
matched by identifier from
InChIKey
InChIKey
SNOPVNVACJOOAY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30690236
0 references
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