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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO
Molecular Weight 167.592
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-4-isocyanatotoluene

SMILES

CC1=CC=C(N=C=O)C(Cl)=C1

InChI

InChIKey=QVCZOTVTRWNPAF-UHFFFAOYSA-N
InChI=1S/C8H6ClNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6ClNO
Molecular Weight 167.592
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:22:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:16 GMT 2023
Record UNII
U65T5SBV9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chloro-4-isocyanatotoluene
Systematic Name English
Benzene, 2-chloro-1-isocyanato-4-methyl-
Systematic Name English
2-Chloro-1-isocyanato-4-methylbenzene
Systematic Name English
Code System Code Type Description
CAS
40398-00-3
Created by admin on Sat Dec 16 12:22:16 GMT 2023 , Edited by admin on Sat Dec 16 12:22:16 GMT 2023
PRIMARY
PUBCHEM
3016182
Created by admin on Sat Dec 16 12:22:16 GMT 2023 , Edited by admin on Sat Dec 16 12:22:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID70193392
Created by admin on Sat Dec 16 12:22:16 GMT 2023 , Edited by admin on Sat Dec 16 12:22:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-906-8
Created by admin on Sat Dec 16 12:22:16 GMT 2023 , Edited by admin on Sat Dec 16 12:22:16 GMT 2023
PRIMARY
FDA UNII
U65T5SBV9A
Created by admin on Sat Dec 16 12:22:16 GMT 2023 , Edited by admin on Sat Dec 16 12:22:16 GMT 2023
PRIMARY