| CAS Number | 1160574-90-2 |
| Catalog Number | AG00MZ3M(AGN-PC-3H457B) |
| Chemical Name | 5-tert-butyl-2-chlorobenzaldehyde |
| IUPAC Name | 5-tert-butyl-2-chlorobenzaldehyde |
| InChI | InChI=1S/C11H13ClO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-7H,1-3H3 |
| InChI Key | IHPVWNOEIRAVOE-UHFFFAOYSA-N |
| MDL Number | MFCD11845932 |
| Molecular Formula | C11H13ClO |
| Molecular Weight | 196.6733 |
| SMILES | CC(C)(C)c1ccc(c(c1)C=O)Cl |
| Synonyms | 1160574-90-2,
2-Chloro-5-tert-butylbenzaldehyde,
5-tert-butyl-2-chlorobenzaldehyde,
5-(tert-Butyl)-2-chlorobenzaldehyde,
SCHEMBL20379836,
ZINC36532761,
AKOS006345797,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.674g/mol |
| Monoisotopic Mass | 196.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number