| CAS Number | 857000-86-3 |
| Catalog Number | AG00G63T(AGN-PC-0WD1NI) |
| Chemical Name | 2-chloro-3-methylbenzamide |
| IUPAC Name | 2-chloro-3-methylbenzamide |
| InChI | InChI=1S/C8H8ClNO/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | TXBQSSIKHGLLKR-UHFFFAOYSA-N |
| MDL Number | MFCD09753715 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | C1(C(N)=O)C=CC=C(C)C=1Cl |
| Synonyms | 2-CHLORO-3-METHYLBENZAMIDE,
857000-86-3,
2-chloranyl-3-methyl-benzamide,
SCHEMBL2466290,
CTK7D2735,
DTXSID20696828,
ZINC28278422,
AKOS016845482,
AS02812,
RL05305,
RL05306,
AJ-83419,
SC-51630,
A841417,
J-508672,
857204-03-6,
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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
Lot Number