| CAS Number | 75438-12-9 |
| Catalog Number | AG005XT1(AGN-PC-0NJX99) |
| Chemical Name | 2-Chloro-N-methyl-6-nitroaniline |
| IUPAC Name | 2-chloro-N-methyl-6-nitroaniline |
| InChI | InChI=1S/C7H7ClN2O2/c1-9-7-5(8)3-2-4-6(7)10(11)12/h2-4,9H,1H3 |
| InChI Key | DWQXJEHOYNGRCV-UHFFFAOYSA-N |
| MDL Number | MFCD06408851 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | CNC1=C([N+]([O-])=O)C=CC=C1Cl |
| Synonyms | 2-Chloro-N-methyl-6-nitroaniline,
75438-12-9,
2-chloro-N-methyl-6-nitrobenzenamine,
Benzenamine, 2-chloro-N-methyl-6-nitro-,
SCHEMBL102957,
CTK2G9010,
DTXSID50507110,
DWQXJEHOYNGRCV-UHFFFAOYSA-N,
ZINC39269364,
AKOS000425365,
DA-03640,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.595g/mol |
| Monoisotopic Mass | 186.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number