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English
2-Chlorophenylacetic acid
chemical compound
OCPA
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
170.013457144
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₇ClO₂
0 references
canonical SMILES
C1=CC=C(C(=C1)CC(=O)O)Cl
0 references
melting point
96.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
0 references
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
0 references
CAS Registry Number
2444-36-2
1 reference
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2444-36-2
PubChem CID
17124
1 reference
matched by identifier from
InChIKey
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL194831
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
UniChem compound ID
23726374
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP011256
0 references
NMRShiftDB structure ID
20040382
1 reference
matched by identifier from
InChIKey
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50179194
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80101685
0 references
NSC number
4613
0 references
EC number
219-482-0
0 references
ECHA Substance Infocard ID
100.017.711
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.017.711
retrieved
29 December 2019
title
o-chlorophenylacetic acid
(English)
quotation
CAS no.: 2444-36-2
(English)
AICS Chemical ID (BEING DELETED)
7594
0 references
UNII
7BF49L8BR5
1 reference
matched by identifier from
InChIKey
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
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