| CAS Number | 141184-31-8 |
| Catalog Number | AG019VCE(AGN-PC-03JIQN) |
| Chemical Name | 1-Isothiocyanato-2-phenoxybenzene |
| IUPAC Name | 1-isothiocyanato-2-phenoxybenzene |
| InChI | InChI=1S/C13H9NOS/c16-10-14-12-8-4-5-9-13(12)15-11-6-2-1-3-7-11/h1-9H |
| InChI Key | HERQJOQHRKNLIP-UHFFFAOYSA-N |
| MDL Number | MFCD11117066 |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.2817 |
| SMILES | S=C=NC1=C(OC2=CC=CC=C2)C=CC=C1 |
| Synonyms | 1-isothiocyanato-2-phenoxybenzene,
141184-31-8,
AC1Q7EXP,
2-phenoxyphenyl isothiocyanate,
SCHEMBL2892989,
CTK8A7630,
HERQJOQHRKNLIP-UHFFFAOYSA-N,
ZINC20022391,
AKOS009175171,
NE14930,
EN300-44875,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.281g/mol |
| Monoisotopic Mass | 227.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number