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Details

Stereochemistry ACHIRAL
Molecular Formula C17H11N3O3
Molecular Weight 305.2875
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate

SMILES

CC1=C(CC2=C(C=C(C=C2)N=C=O)N=C=O)C=C(C=C1)N=C=O

InChI

InChIKey=FCLSLHSWMAUISZ-UHFFFAOYSA-N
InChI=1S/C17H11N3O3/c1-12-2-4-15(18-9-21)7-14(12)6-13-3-5-16(19-10-22)8-17(13)20-11-23/h2-5,7-8H,6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate
Systematic Name English
2,4-Diisocyanato-1-[(5-isocyanato-2-methylphenyl)methyl]benzene
Preferred Name English
Benzene, 2,4-diisocyanato-1-[(5-isocyanato-2-methylphenyl)methyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20241059
Created by admin on Tue Apr 01 20:31:03 GMT 2025 , Edited by admin on Tue Apr 01 20:31:03 GMT 2025
PRIMARY
CAS
94213-39-5
Created by admin on Tue Apr 01 20:31:03 GMT 2025 , Edited by admin on Tue Apr 01 20:31:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
303-743-1
Created by admin on Tue Apr 01 20:31:03 GMT 2025 , Edited by admin on Tue Apr 01 20:31:03 GMT 2025
PRIMARY
FDA UNII
CX7ZT2ETQ7
Created by admin on Tue Apr 01 20:31:03 GMT 2025 , Edited by admin on Tue Apr 01 20:31:03 GMT 2025
PRIMARY
PUBCHEM
20234546
Created by admin on Tue Apr 01 20:31:03 GMT 2025 , Edited by admin on Tue Apr 01 20:31:03 GMT 2025
PRIMARY
NIH
NCATS
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