| CAS Number | 88267-60-1 |
| Catalog Number | AG0049Z3(AGN-PC-00KXYA) |
| Chemical Name | 2-[(2-Chloroethyl)amino]benzamide |
| IUPAC Name | 2-(2-chloroethylamino)benzamide |
| InChI | InChI=1S/C9H11ClN2O/c10-5-6-12-8-4-2-1-3-7(8)9(11)13/h1-4,12H,5-6H2,(H2,11,13) |
| InChI Key | GIOSKUACDFONCO-UHFFFAOYSA-N |
| MDL Number | MFCD20633822 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | ClCCNc1ccccc1C(=O)N |
| Synonyms | 88267-60-1,
2-((2-chloroethyl)amino)benzamide,
2-[(2-Chloroethyl)amino]benzamide,
Benzamide, 2-[(2-chloroethyl)amino]-,
SCHEMBL8602088,
CTK3B4908,
DTXSID80518572,
AKOS030577044,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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