| CAS Number | 87808-44-4 |
| Catalog Number | AG01EY42(AGN-PC-0KKNBT) |
| Chemical Name | 3-methoxy-4-methylbenzoyl chloride |
| IUPAC Name | 3-methoxy-4-methylbenzoyl chloride |
| InChI | InChI=1S/C9H9ClO2/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3 |
| InChI Key | BQJLTBKKFLTXKO-UHFFFAOYSA-N |
| MDL Number | MFCD04117283 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | c1(c(ccc(c1)C(=O)Cl)C)OC |
| Synonyms | 3-methoxy-4-methylbenzoyl chloride,
87808-44-4,
3-Methoxy-4-methyl-benzoyl chloride,
AC1MC0QS,
SCHEMBL22035,
CTK6J6686,
BQJLTBKKFLTXKO-UHFFFAOYSA-N,
ZINC2528908,
SC-61460,
3-METHOXY-4-METHYL BENZOYL CHLORIDE,
ZINC02528908,
CID2759584,
Benzoyl chloride, 3-methoxy-4-methyl- (9CI),
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number