| CAS Number | 761001-64-3 |
| Catalog Number | AG01B94M(AGN-PC-0OHRDB) |
| Chemical Name | 4-bromo-N,N-diethyl-3-fluoroaniline |
| IUPAC Name | 4-bromo-N,N-diethyl-3-fluoroaniline |
| InChI | InChI=1S/C10H13BrFN/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4H2,1-2H3 |
| InChI Key | RKIYKABTXNDNOW-UHFFFAOYSA-N |
| MDL Number | MFCD20920109 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CCN(C1=CC(F)=C(Br)C=C1)CC |
| Synonyms | 4-bromo-N,N-diethyl-3-fluoroaniline,
761001-64-3,
ZINC95915888,
AKOS019027140,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.123g/mol |
| Monoisotopic Mass | 245.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number