| CAS Number | 93445-15-9 |
| Catalog Number | AG01EHV3(AGN-PC-0IOQKB) |
| Chemical Name | N-benzyl-3-chloroaniline hydrochloride |
| IUPAC Name | N-benzyl-3-chloroaniline;hydrochloride |
| InChI | InChI=1S/C13H12ClN.ClH/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;/h1-9,15H,10H2;1H |
| InChI Key | KTEGESCSRYVFGA-UHFFFAOYSA-N |
| MDL Number | MFCD31665968 |
| Molecular Formula | C13H13Cl2N |
| Molecular Weight | 254.1550 |
| SMILES | Cl.ClC1=CC(NCC2=CC=CC=C2)=CC=C1 |
| Synonyms | SCHEMBL7102271,
N-benzyl-3-chloroaniline hydrochloride,
93445-15-9,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.154g/mol |
| Monoisotopic Mass | 253.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number