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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16BCl2NO3
Molecular Weight 400.063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AN-0128

SMILES

CC1=CC=C(C=C1Cl)B(OC(=O)C2=NC=CC=C2O)C3=CC(Cl)=C(C)C=C3

InChI

InChIKey=ZTLSOLUCMQEGEA-UHFFFAOYSA-N
InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H16BCl2NO3
Molecular Weight 400.063
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:37 UTC 2023
Record UNII
8RT8P7QL3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AN-0128
Code English
2-(((BIS(3-CHLORO-4-METHYLPHENYL)BORYL)OXY)CARBONYL)PYRIDIN-3-OL
Systematic Name English
CRM-0005
Code English
2-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-, ANHYDRIDE WITH B,B-BIS(3-CHLORO-4-METHYLPHENYL)BORINIC ACID
Systematic Name English
ONT-0001
Code English
Code System Code Type Description
FDA UNII
8RT8P7QL3A
Created by admin on Fri Dec 15 15:34:37 UTC 2023 , Edited by admin on Fri Dec 15 15:34:37 UTC 2023
PRIMARY
CAS
872044-70-7
Created by admin on Fri Dec 15 15:34:37 UTC 2023 , Edited by admin on Fri Dec 15 15:34:37 UTC 2023
PRIMARY
PUBCHEM
11704019
Created by admin on Fri Dec 15 15:34:37 UTC 2023 , Edited by admin on Fri Dec 15 15:34:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID801007419
Created by admin on Fri Dec 15 15:34:37 UTC 2023 , Edited by admin on Fri Dec 15 15:34:37 UTC 2023
PRIMARY
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