| CAS Number | 20301-57-9 |
| Catalog Number | AG0028N6(AGN-PC-0WBPYI) |
| Chemical Name | 2-chloro-N-(cyanomethyl)acetamide |
| IUPAC Name | 2-chloro-N-(cyanomethyl)acetamide |
| InChI | InChI=1S/C4H5ClN2O/c5-3-4(8)7-2-1-6/h2-3H2,(H,7,8) |
| InChI Key | BLGRCGIMBCJLMZ-UHFFFAOYSA-N |
| MDL Number | MFCD00798455 |
| Molecular Formula | C4H5ClN2O |
| Molecular Weight | 132.5483 |
| SMILES | ClCC(=O)NCC#N |
| Synonyms | 2-chloro-N-(cyanomethyl)acetamide,
20301-57-9,
CHLOROACETYLAMINOACETONITRILE,
Acetamide, 2-chloro-N-(cyanomethyl)-,
AC1Q3TMP,
SCHEMBL10615539,
CTK4E3851,
DTXSID00574453,
ZINC20204145,
AKOS008099244,
MCULE-3245517796,
NE40496,
EN300-28347,
J-013200,
F8881-4113,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.547g/mol |
| Monoisotopic Mass | 132.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number