| CAS Number | 76842-16-5 |
| Catalog Number | AG01DTEK(AGN-PC-0NJTLE) |
| Chemical Name | 2-chloro-4-(propan-2-yl)aniline |
| IUPAC Name | 2-chloro-4-propan-2-ylaniline |
| InChI | InChI=1S/C9H12ClN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3 |
| InChI Key | PLNPTWCBWDTKLR-UHFFFAOYSA-N |
| MDL Number | MFCD20701773 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CC(C1=CC(Cl)=C(N)C=C1)C |
| Synonyms | 76842-16-5,
2-chloro-4-isopropylaniline,
Benzenamine, 2-chloro-4-(1-methylethyl)-,
SCHEMBL3786798,
2-chloro-4-(propan-2-yl)aniline,
ZINC39261948,
AKOS017529830,
FT-0709244,
2-chloro-4-isopropylbenzenamine,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number