1,1-Dimethylethyl 4-isocyanatobenzoate

CAS Registry Number®

75294-50-7

CAS Name

1,1-Dimethylethyl 4-isocyanatobenzoate

Molecular Formula

C12H13NO3

Molecular Mass

219.24

Cite this Page

1,1-Dimethylethyl 4-isocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75294-50-7 (retrieved 2024-11-23) (CAS RN: 75294-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO3/c1-12(2,3)16-11(15)9-4-6-10(7-5-9)13-8-14/h4-7H,1-3H3

InChIKey

InChIKey=RVYPZXSBYFJLDZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=C(C=C1)C(=O)OC(C)(C)C

Other Names for this Substance

  • Benzoic acid, 4-isocyanato-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-isocyanatobenzoate

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