| CAS Number | 4747-92-6 |
| Catalog Number | AG01ARK4(AGN-PC-0NG5HR) |
| Chemical Name | (2-Isocyanatoethoxy)benzene |
| IUPAC Name | 2-isocyanatoethoxybenzene |
| InChI | InChI=1S/C9H9NO2/c11-8-10-6-7-12-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChI Key | SGKMITSKCVYDPL-UHFFFAOYSA-N |
| MDL Number | MFCD11613848 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | O=C=NCCOC1=CC=CC=C1 |
| Synonyms | (2-isocyanatoethoxy)benzene,
4747-92-6,
2-phenoxyethylisocyanate,
SCHEMBL7184256,
ZINC19785907,
AKOS012410819,
MCULE-6572674453,
L-4875,
F2158-1540,
2-isocyanatoethoxybenzene,
CID11116373,
N/A,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number