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4-Chlorobutyrophenone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
182.049842652
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₁ClO
0 references
canonical SMILES
C1=CC=C(C=C1)C(=O)CCCCl
0 references
Identifiers
InChI
InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
0 references
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
0 references
CAS Registry Number
939-52-6
1 reference
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=939-52-6
PubChem CID
253533
1 reference
matched by identifier from
InChIKey
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL318784
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
UniChem compound ID
6105959
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP003746
0 references
DSSTox substance ID
DTXSID10917236
1 reference
matched by identifier from
InChIKey
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401346196
0 references
NSC number
76579
0 references
UNII
QR9PK9JWG3
1 reference
matched by identifier from
InChIKey
InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N
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