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Details

Stereochemistry ACHIRAL
Molecular Formula C3H2ClNO2
Molecular Weight 119.506
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLOROACETYL ISOCYANATE

SMILES

ClCC(=O)N=C=O

InChI

InChIKey=MOVMEFHWBOWMFU-UHFFFAOYSA-N
InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2

HIDE SMILES / InChI

Molecular Formula C3H2ClNO2
Molecular Weight 119.506
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis, antiproliferative activity evaluation and structure-activity relationships of novel aromatic urea and amide analogues of N-phenyl-N'-(2-chloroethyl)ureas.
2010-07
Conformational analysis and comparison between theoretical and experimental vibrational spectra for chloroacetyl isocyanate.
2003-01-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:19:30 GMT 2025
Edited
by admin
on Mon Mar 31 21:19:30 GMT 2025
Record UNII
H5WF2AMH7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROACETIC ACID ANHYDRIDE WITH ISOCYANIC ACID
Preferred Name English
CHLOROACETYL ISOCYANATE
MI  
Systematic Name English
CHLOROACETYL ISOCYANATE [MI]
Common Name English
2-CHLOROACETYL ISOCYANATE
Systematic Name English
ACETYL ISOCYANATE, CHLORO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-715-4
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY
FDA UNII
H5WF2AMH7J
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY
PUBCHEM
78209
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID30196248
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY
MERCK INDEX
m3387
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY Merck Index
CAS
4461-30-7
Created by admin on Mon Mar 31 21:19:30 GMT 2025 , Edited by admin on Mon Mar 31 21:19:30 GMT 2025
PRIMARY