| CAS Number | 1193390-03-2 |
| Catalog Number | AG019VW0(AGN-PC-07HC5N) |
| Chemical Name | N-[(4-bromophenyl)methyl]-2,4-difluoroaniline hydrochloride |
| IUPAC Name | N-[(4-bromophenyl)methyl]-2,4-difluoroaniline;hydrochloride |
| InChI | InChI=1S/C13H10BrF2N.ClH/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16;/h1-7,17H,8H2;1H |
| InChI Key | CZQYCJJRWZQHLU-UHFFFAOYSA-N |
| MDL Number | MFCD12197256 |
| Molecular Formula | C13H11BrClF2N |
| Molecular Weight | 334.5869 |
| SMILES | Cl.FC1=CC(F)=C(NCC2=CC=C(Br)C=C2)C=C1 |
| Synonyms | N-[(4-bromophenyl)methyl]-2,4-difluoroaniline hydrochloride,
1193390-03-2,
AC1Q3CAD,
CTK5I7428,
AKOS008066944,
MCULE-9273930085,
NE36495,
EN300-49692,
J-004107,
Z600428428,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.589g/mol |
| Monoisotopic Mass | 332.973g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number