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Structure

1-Isocyanato-2-(phenoxymethyl)benzene

CAS
910037-00-2
Catalog Number
ACM910037002
Category
Other Products
Molecular Weight
225.24264
Molecular Formula
C14H11NO2
MSDS COA Spec Sheet

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Specification

Synonyms
1-ISOCYANATO-2-(PHENOXYMETHYL)BENZENE
What is the molecular formula of 1-isocyanato-2-(phenoxymethyl)benzene?

The molecular formula is C14H11NO2.

What is the molecular weight of 1-isocyanato-2-(phenoxymethyl)benzene?

The molecular weight is 225.24 g/mol.

What is the IUPAC name of 1-isocyanato-2-(phenoxymethyl)benzene?

The IUPAC name is 1-isocyanato-2-(phenoxymethyl)benzene.

What is the InChI of 1-isocyanato-2-(phenoxymethyl)benzene?

The InChI is InChI=1S/C14H11NO2/c16-11-15-14-9-5-4-6-12(14)10-17-13-7-2-1-3-8-13/h1-9H,10H2.

What is the InChIKey of 1-isocyanato-2-(phenoxymethyl)benzene?

The InChIKey is FGEXXDXHIUWRRS-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-isocyanato-2-(phenoxymethyl)benzene?

The Canonical SMILES is C1=CC=C(C=C1)OCC2=CC=CC=C2N=C=O.

What is the CAS number of 1-isocyanato-2-(phenoxymethyl)benzene?

The CAS number is 910037-00-2.

What is the XLogP3-AA value of 1-isocyanato-2-(phenoxymethyl)benzene?

The XLogP3-AA value is 4.2.

How many hydrogen bond donor counts does 1-isocyanato-2-(phenoxymethyl)benzene have?

It has 0 hydrogen bond donor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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