| CAS Number | 1067970-63-1 |
| Catalog Number | AG019RRT |
| Chemical Name | 1-Chloro-2-isocyanato-4-methoxybenzene |
| IUPAC Name | 1-chloro-2-isocyanato-4-methoxybenzene |
| InChI | InChI=1S/C8H6ClNO2/c1-12-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3 |
| InChI Key | AHGNKGVBOQBDGQ-UHFFFAOYSA-N |
| MDL Number | MFCD18269741 |
| Molecular Formula | C8H6ClNO2 |
| Molecular Weight | 183.5917 |
| SMILES | COC1=CC(N=C=O)=C(Cl)C=C1 |
| Synonyms | 1-chloro-2-isocyanato-4-methoxybenzene,
1067970-63-1,
Benzene, 1-chloro-2-isocyanato-4-methoxy-,
SCHEMBL7774163,
ZINC62822122,
AKOS012410837,
NE22481,
EN300-90300,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.591g/mol |
| Monoisotopic Mass | 183.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number