charge
label: بار @fa

formula
label: فرمول @fa

has_role
label: نقشی دارد @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym EXACT
label: مترادف دقیق @fa

synonym RELATED
label: مترادف مرتبط @fa

isocyanates
type: Concept
narrower: 2,5-dimethylphenyl isocyanate
preferred label: ایزوسیانات‌ها @fa

hapten
type: Concept
preferred label: هاپتن @fa

2,5-dimethylphenyl isocyanate
type: Concept
charge: 0
formula: C9H9NO
has_role: hapten
inchi: InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
inchikey: SOXVXJQIQVOCAY-UHFFFAOYSA-N
mass: 147.17390
monoisotopicmass: 147.06841
smiles: Cc1ccc(C)c(c1)N=C=O
subset: 3_STAR
synonym EXACT: 2-isocyanato-1,4-dimethylbenzene
synonym RELATED: 2,5-dimethylphenylisocyanate
synonym RELATED: 2,5-dimethyl phenylisocyanate
broader: isocyanates
preferred label: 2،5 دی متیل فنیل ایزوسیانات @fa