| CAS Number | 1403483-68-0 |
| Catalog Number | AG009X1Y(AGN-PC-0WA58A) |
| Chemical Name | 2-(Benzyloxy)-4-bromo-5-chloroaniline |
| IUPAC Name | 4-bromo-5-chloro-2-phenylmethoxyaniline |
| InChI | InChI=1S/C13H11BrClNO/c14-10-6-13(12(16)7-11(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2 |
| InChI Key | TWWVPGMOMPSJSI-UHFFFAOYSA-N |
| MDL Number | MFCD22549305 |
| Molecular Formula | C13H11BrClNO |
| Molecular Weight | 312.5895 |
| SMILES | Nc1cc(Cl)c(cc1OCc1ccccc1)Br |
| Synonyms | 2-(Benzyloxy)-4-bromo-5-chloroaniline,
1403483-68-0,
ZINC95217818,
V3064,
C13H11BrClNO,
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| Complexity | 236 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number