| CAS Number | 850563-45-0 |
| Catalog Number | AG004Z85(AGN-PC-058CR3) |
| Chemical Name | 2-fluoro-3-methoxybenzoyl chloride |
| IUPAC Name | 2-fluoro-3-methoxybenzoyl chloride |
| InChI | InChI=1S/C8H6ClFO2/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4H,1H3 |
| InChI Key | ZMPICCMPENQNFS-UHFFFAOYSA-N |
| MDL Number | MFCD08277634 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | c1(cccc(c1F)C(=O)Cl)OC |
| Synonyms | 2-Fluoro-3-methoxybenzoyl chloride,
850563-45-0,
Benzoyl chloride,2-fluoro-3-methoxy-,
SCHEMBL23137,
CTK5F3908,
DTXSID50650534,
ZMPICCMPENQNFS-UHFFFAOYSA-N,
2-fluoro-3-methoxy-benzoyl chloride,
KM2280,
MFCD08277634,
SBB090843,
ZINC16159886,
AKOS023118464,
2-fluoranyl-3-methoxy-benzoyl chloride,
Benzoyl chloride, 2-fluoro-3-methoxy-,
PS-10764,
A841083,
2-FLUORO-3-METHOXYBENZOYLCHLORIDE,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H318-H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P303+P361+P353-P305+P351+P338-P210-P501-P260
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number