| CAS Number | 28568-04-9 |
| Catalog Number | AG00BJSD(AGN-PC-0CF2IO) |
| Chemical Name | 2-Amino-4,5-dichloro-benzonitrile |
| IUPAC Name | 2-amino-4,5-dichlorobenzonitrile |
| InChI | InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2H,11H2 |
| InChI Key | OERKZOSLSXFLMY-UHFFFAOYSA-N |
| MDL Number | MFCD20695857 |
| Molecular Formula | C7H4Cl2N2 |
| Molecular Weight | 187.0261 |
| SMILES | c1c(c(cc(c1Cl)Cl)N)C#N |
| Synonyms | 2-Amino-4,5-dichlorobenzonitrile,
28568-04-9,
2-Amino-4,5-dichloro-benzonitrile,
SCHEMBL404475,
OERKZOSLSXFLMY-UHFFFAOYSA-N,
AKOS027441655,
Benzonitrile, 2-amino-4,5-dichloro-,
ZINC113752514,
FCH1276789,
AX8275587,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.023g/mol |
| Monoisotopic Mass | 185.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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