| CAS Number | 3400-31-5 |
| Catalog Number | AG007HVQ(AGN-PC-0JMILN) |
| Chemical Name | 2-chloro-N-methyl-benzamide |
| IUPAC Name | 2-chloro-N-methylbenzamide |
| InChI | InChI=1S/C8H8ClNO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11) |
| InChI Key | ITXNDDPDABTCBO-UHFFFAOYSA-N |
| MDL Number | MFCD00032667 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| NSC Number | 406902 |
| SMILES | ClC1=C(C(=O)NC)C=CC=C1 |
| Synonyms | 2-chloro-N-methylbenzamide,
3400-31-5,
2-chloro-N-methyl-benzamide,
N-methyl-2-chlorobenzamide,
Benzamide, 2-chloro-N-methyl-,
ITXNDDPDABTCBO-UHFFFAOYSA-N,
MFCD00032667,
NSC406902,
N-methyl-o-chlorbenzamid,
AC1L88HQ,
SCHEMBL883582,
CTK1C4596,
DTXSID00324516,
ZINC1599533,
(2-chlorophenyl)-N-methylcarboxamide,
AKOS008933452,
MCULE-4248497720,
NSC-406902,
ST51015333,
CID347959,
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| Complexity | 149 |
| 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 | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number