| CAS Number | 495406-90-1 |
| Catalog Number | AG00DLVF(AGN-PC-0BGIGY) |
| Chemical Name | 2-(Benzyloxy)-4-bromoaniline |
| IUPAC Name | 4-bromo-2-phenylmethoxyaniline |
| InChI | InChI=1S/C13H12BrNO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChI Key | JDMZGIUVZRLWQT-UHFFFAOYSA-N |
| MDL Number | MFCD13688998 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | NC1=CC=C(Br)C=C1OCC2=CC=CC=C2 |
| Synonyms | 2-(Benzyloxy)-4-bromoaniline,
495406-90-1,
4-bromo-2-phenylmethoxyaniline,
SCHEMBL1584529,
JDMZGIUVZRLWQT-UHFFFAOYSA-N,
MFCD13688998,
ZINC74938163,
AKOS014677671,
AJ-121531,
4CH-004120,
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| Complexity | 206 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number