| CAS Number | 785719-23-5 |
| Catalog Number | AG00G8I3 |
| Chemical Name | Methyl 3-bromobenzene-1-carboximidate |
| IUPAC Name | methyl 3-bromobenzenecarboximidate |
| InChI | InChI=1S/C8H8BrNO/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,10H,1H3 |
| InChI Key | LRFHACQUFBUNBT-UHFFFAOYSA-N |
| MDL Number | MFCD12816074 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | COC(C1=CC(Br)=CC=C1)=N |
| Synonyms | methyl 3-bromobenzene-1-carboximidate,
785719-23-5,
methyl 3-bromobenzimidate,
ZINC37927979,
NE38388,
FT-0764119,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.062g/mol |
| Monoisotopic Mass | 212.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number