| CAS Number | 900574-83-6 |
| Catalog Number | AG01B323(AGN-PC-0CJ8PC) |
| Chemical Name | 4-bromo-2-isocyanato-1-methoxybenzene |
| IUPAC Name | 4-bromo-2-isocyanato-1-methoxybenzene |
| InChI | InChI=1S/C8H6BrNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3 |
| InChI Key | JETIPBCSRYCACD-UHFFFAOYSA-N |
| MDL Number | MFCD18269791 |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.0427 |
| SMILES | COC1=C(N=C=O)C=C(Br)C=C1 |
| Synonyms | 4-bromo-2-isocyanato-1-methoxybenzene,
900574-83-6,
4-bromo-2-isocyanato-1-methoxy-benzene,
SCHEMBL1660244,
JETIPBCSRYCACD-UHFFFAOYSA-N,
5-bromo-2-methoxyphenyl isocyanate,
ZINC62822196,
AKOS012411014,
Benzene, 4-bromo-2-isocyanato-1-methoxy-,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.045g/mol |
| Monoisotopic Mass | 226.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number