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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4FNO
Molecular Weight 137.1112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Fluorophenyl isocyanate

SMILES

FC1=CC(=CC=C1)N=C=O

InChI

InChIKey=RIKWVZGZRYDACA-UHFFFAOYSA-N
InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Fluoro-3-isocyanatobenzene
Preferred Name English
3-Fluorophenyl isocyanate
Systematic Name English
m-Fluorophenyl isocyanate
Systematic Name English
Benzene, 1-fluoro-3-isocyanato-
Systematic Name English
Code System Code Type Description
CAS
404-71-7
Created by admin on Tue Apr 01 18:53:17 GMT 2025 , Edited by admin on Tue Apr 01 18:53:17 GMT 2025
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FDA UNII
UQY8BHX3TB
Created by admin on Tue Apr 01 18:53:17 GMT 2025 , Edited by admin on Tue Apr 01 18:53:17 GMT 2025
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EPA CompTox
DTXSID20193403
Created by admin on Tue Apr 01 18:53:17 GMT 2025 , Edited by admin on Tue Apr 01 18:53:17 GMT 2025
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ECHA (EC/EINECS)
206-966-1
Created by admin on Tue Apr 01 18:53:17 GMT 2025 , Edited by admin on Tue Apr 01 18:53:17 GMT 2025
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PUBCHEM
123064
Created by admin on Tue Apr 01 18:53:17 GMT 2025 , Edited by admin on Tue Apr 01 18:53:17 GMT 2025
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