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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8ClO.Na
Molecular Weight 226.634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-CHLORO-4-PHENYLPHENATE

SMILES

[Na+].[O-]C1=C(Cl)C=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=ARCOPJIXLBWKLT-UHFFFAOYSA-M
InChI=1S/C12H9ClO.Na/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;/h1-8,14H;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H8ClO
Molecular Weight 203.644
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Identification and characterization of two novel cytosolic sulfotransferases, SULT1 ST7 and SULT1 ST8, from zebrafish.
2008 Aug 29
Characterization of steroid hormone receptor activities in 100 hydroxylated polychlorinated biphenyls, including congeners identified in humans.
2011 Nov 18
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:02:23 GMT 2023
Edited
by admin
on Sat Dec 16 06:02:23 GMT 2023
Record UNII
3HNV61OUA1
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
Name Type Language
SODIUM 2-CHLORO-4-PHENYLPHENATE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 62215
Created by admin on Sat Dec 16 06:02:23 GMT 2023 , Edited by admin on Sat Dec 16 06:02:23 GMT 2023
Code System Code Type Description
CAS
31366-97-9
Created by admin on Sat Dec 16 06:02:23 GMT 2023 , Edited by admin on Sat Dec 16 06:02:23 GMT 2023
PRIMARY
PUBCHEM
23705733
Created by admin on Sat Dec 16 06:02:23 GMT 2023 , Edited by admin on Sat Dec 16 06:02:23 GMT 2023
PRIMARY
FDA UNII
3HNV61OUA1
Created by admin on Sat Dec 16 06:02:23 GMT 2023 , Edited by admin on Sat Dec 16 06:02:23 GMT 2023
PRIMARY
Related Record Type Details
SUB_CONCEPT->SUBSTANCE