| CAS Number | 102115-69-5 |
| Catalog Number | AG01ELTH(AGN-PC-0NVCOR) |
| Chemical Name | methyl 2-(2-chloroacetamido)-3-methylpentanoate |
| IUPAC Name | methyl 2-[(2-chloroacetyl)amino]-3-methylpentanoate |
| InChI | InChI=1S/C9H16ClNO3/c1-4-6(2)8(9(13)14-3)11-7(12)5-10/h6,8H,4-5H2,1-3H3,(H,11,12) |
| InChI Key | OKGVNNSSLBGHND-UHFFFAOYSA-N |
| MDL Number | MFCD00548262 |
| Molecular Formula | C9H16ClNO3 |
| Molecular Weight | 221.6812 |
| SMILES | CCC(C(C(OC)=O)NC(CCl)=O)C |
| Synonyms | methyl 2-(2-chloroacetamido)-3-methylpentanoate,
methyl 2-[(chloroacetyl)amino]-3-methylpentanoate,
AC1Q2S1X,
CTK6H5224,
AKOS009075614,
MCULE-2663838119,
NE21160,
EN300-23149,
102115-69-5,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.681g/mol |
| Monoisotopic Mass | 221.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number