| CAS Number | 1152877-43-4 |
| Catalog Number | AG00HCYW(AGN-PC-0WRA49) |
| Chemical Name | 4-(2-Bromophenoxy)-3-methylaniline |
| IUPAC Name | 4-(2-bromophenoxy)-3-methylaniline |
| InChI | InChI=1S/C13H12BrNO/c1-9-8-10(15)6-7-12(9)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3 |
| InChI Key | YDWZQZLKXIHQAN-UHFFFAOYSA-N |
| MDL Number | MFCD11106421 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | Nc1ccc(c(c1)C)Oc1ccccc1Br |
| Synonyms | 4-(2-bromophenoxy)-3-methylaniline,
1152877-43-4,
ZINC34978406,
AKOS009349532,
CJ-18618,
Y2614,
C13H12BrNO,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.149g/mol |
| Monoisotopic Mass | 277.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number