| CAS Number | 1117843-17-0 |
| Catalog Number | AG0093ZB |
| Chemical Name | 4-Chloro-2-methylbenzamide |
| IUPAC Name | 4-chloro-2-methylbenzamide |
| InChI | InChI=1S/C8H8ClNO/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | VRVMBIZATLJJFO-UHFFFAOYSA-N |
| MDL Number | MFCD12922943 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | O=C(N)C1=CC=C(Cl)C=C1C |
| Synonyms | 4-CHLORO-2-METHYLBENZAMIDE,
1117843-17-0,
2-METHYL-4-CHLOROBENZAMIDE,
4-chloro-2-methyl-benzamide,
SCHEMBL2468739,
CTK6G7621,
VRVMBIZATLJJFO-UHFFFAOYSA-N,
MFCD12922943,
ZINC44830805,
AKOS015995441,
AS-47428,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.608g/mol |
| Monoisotopic Mass | 169.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number