U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H8BCl2NO3
Molecular Weight 319.935
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-Dichloro-4-((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl]oxy]benzonitrile

SMILES

OB1OCC2=CC(OC3=CC(Cl)=C(C#N)C(Cl)=C3)=CC=C12

InChI

InChIKey=QCTAZSAEMFXACJ-UHFFFAOYSA-N
InChI=1S/C14H8BCl2NO3/c16-13-4-10(5-14(17)11(13)6-18)21-9-1-2-12-8(3-9)7-20-15(12)19/h1-5,19H,7H2

HIDE SMILES / InChI

Molecular Formula C14H8BCl2NO3
Molecular Weight 319.935
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 Sat Dec 16 19:01:12 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:12 GMT 2023
Record UNII
8BG24H8LXC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-Dichloro-4-((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl]oxy]benzonitrile
Systematic Name English
Benzonitrile, 2,6-dichloro-4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
Systematic Name English
Code System Code Type Description
FDA UNII
8BG24H8LXC
Created by admin on Sat Dec 16 19:01:12 GMT 2023 , Edited by admin on Sat Dec 16 19:01:12 GMT 2023
PRIMARY
PUBCHEM
141687062
Created by admin on Sat Dec 16 19:01:12 GMT 2023 , Edited by admin on Sat Dec 16 19:01:12 GMT 2023
PRIMARY
CAS
2354382-27-5
Created by admin on Sat Dec 16 19:01:12 GMT 2023 , Edited by admin on Sat Dec 16 19:01:12 GMT 2023
PRIMARY