| CAS Number | 132915-78-7 |
| Catalog Number | AG0011E3(AGN-PC-0WCY2L) |
| Chemical Name | 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride |
| IUPAC Name | 4-(trifluoromethyl)benzene-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)4-1-2-5(11)6(12)3-4;;/h1-3H,11-12H2;2*1H |
| InChI Key | YJBDPLWGMGSBMD-UHFFFAOYSA-N |
| MDL Number | MFCD12128976 |
| Molecular Formula | C7H9Cl2F3N2 |
| Molecular Weight | 249.0610 |
| SMILES | Cl.Cl.Nc1ccc(cc1N)C(F)(F)F |
| Synonyms | 132915-78-7,
4-(trifluoromethyl)benzene-1,2-diamine dihydrochloride,
4-(Trifluoromethyl)benzene-1,2-diamine 2HCl,
3,4-Diaminobenzotrifluoride.2HCl,
MFCD12128976,
AK199616,
CS-0059774,
4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINEDIHYDROCHLORIDE,
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2),
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.058g/mol |
| Monoisotopic Mass | 248.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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