| CAS Number | 1021236-09-8 |
| Catalog Number | AG01ABDG |
| Chemical Name | 4-(2-bromo-4-methylphenoxy)-3-chloroaniline |
| IUPAC Name | 4-(2-bromo-4-methylphenoxy)-3-chloroaniline |
| InChI | InChI=1S/C13H11BrClNO/c1-8-2-4-12(10(14)6-8)17-13-5-3-9(16)7-11(13)15/h2-7H,16H2,1H3 |
| InChI Key | SZSONLWWCHIHJC-UHFFFAOYSA-N |
| MDL Number | MFCD11156069 |
| Molecular Formula | C13H11BrClNO |
| Molecular Weight | 312.5895 |
| SMILES | CC1=CC(Br)=C(OC2=C(Cl)C=C(N)C=C2)C=C1 |
| Synonyms | 4-(2-bromo-4-methylphenoxy)-3-chloroaniline,
1021236-09-8,
AC1Q2HJL,
ZINC20077783,
AKOS000262334,
MCULE-5164725269,
NE26366,
EN300-71306,
Z1263806891,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.591g/mol |
| Monoisotopic Mass | 310.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number