| CAS Number | 2059988-69-9 |
| Catalog Number | AG01BVOE |
| Chemical Name | (4-Bromo-2,5-difluorophenyl)methanamine hydrochloride |
| IUPAC Name | (4-bromo-2,5-difluorophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C7H6BrF2N.ClH/c8-5-2-6(9)4(3-11)1-7(5)10;/h1-2H,3,11H2;1H |
| InChI Key | ABFWCVBXTWZQBC-UHFFFAOYSA-N |
| MDL Number | MFCD30497599 |
| Molecular Formula | C7H7BrClF2N |
| Molecular Weight | 258.4910 |
| SMILES | Cl.NCC1=C(F)C=C(Br)C(F)=C1 |
| Synonyms | 4-Bromo-2,5-difluorobenzylamine hydrochloride,
1256276-39-7,
(4-bromo-2,5-difluorophenyl)methanamine hydrochloride,
2059988-69-9,
PS-10120,
Z2694742552,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.491g/mol |
| Monoisotopic Mass | 256.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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