| CAS Number | 885524-89-0 |
| Catalog Number | AG019OSG |
| Chemical Name | 4-(4-Bromophenoxymethyl)aniline |
| IUPAC Name | 4-[(4-bromophenoxy)methyl]aniline |
| InChI | InChI=1S/C13H12BrNO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9,15H2 |
| InChI Key | NFOYHNFVIWDOSU-UHFFFAOYSA-N |
| MDL Number | MFCD08271771 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | NC1=CC=C(COC2=CC=C(Br)C=C2)C=C1 |
| Synonyms | 4-(4-bromophenoxymethyl)aniline,
4-[(4-bromophenoxy)methyl]aniline,
885524-89-0,
AC1OEVZP,
CTK7D7480,
AC1Q5217,
ZINC3888937,
AKOS000189172,
EN300-15076,
Z932315034,
ZINC03888937,
CID7064062,
|
| Complexity | 196 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number