| CAS Number | 205178-79-6 |
| Catalog Number | AG00I3VS(AGN-PC-0WBTBV) |
| Chemical Name | 3-Chloro-2-methylbenzamide |
| IUPAC Name | 3-chloro-2-methylbenzamide |
| InChI | InChI=1S/C8H8ClNO/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H2,10,11) |
| InChI Key | LBGDADHDWVIRII-UHFFFAOYSA-N |
| MDL Number | MFCD00047882 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | O=C(N)C1=CC=CC(Cl)=C1C |
| Synonyms | 3-chloro-2-methylbenzamide,
205178-79-6,
AC1MWHPL,
SCHEMBL1719653,
CTK7D2733,
ZINC2563288,
AKOS006273231,
TR-040059,
3-chloro-2-methyl-benzamide,
CID3699690,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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