| CAS Number | 4791-24-6 |
| Catalog Number | AG00DII5(AGN-PC-0KEKIW) |
| Chemical Name | 1-(2-Chloro-acetyl)-3-ethyl-urea |
| IUPAC Name | 2-chloro-N-(ethylcarbamoyl)acetamide |
| InChI | InChI=1S/C5H9ClN2O2/c1-2-7-5(10)8-4(9)3-6/h2-3H2,1H3,(H2,7,8,9,10) |
| InChI Key | BPSCQIPXTHOTMA-UHFFFAOYSA-N |
| MDL Number | MFCD00795992 |
| Molecular Formula | C5H9ClN2O2 |
| Molecular Weight | 164.5902 |
| SMILES | CCNC(NC(CCl)=O)=O |
| Synonyms | 1-(2-Chloro-acetyl)-3-ethyl-urea,
4791-24-6,
2-chloro-N-(ethylcarbamoyl)acetamide,
1-chloroacetyl-3-ethyl-urea,
3-(2-chloroacetyl)-1-ethylurea,
AC1M4BTW,
AC1Q31CN,
N-(chloroacetyl)-N'-ethylurea,
SCHEMBL4076701,
CTK1D6748,
DTXSID10367919,
BPSCQIPXTHOTMA-UHFFFAOYSA-N,
ZINC3106345,
AKOS001059981,
MCULE-2091607318,
NE11696,
EN300-05668,
ZINC03106345,
CID2304790,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.589g/mol |
| Monoisotopic Mass | 164.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number