| CAS Number | 4791-27-9 |
| Catalog Number | AG006YF6(AGN-PC-0KF1EK) |
| Chemical Name | N-(tert-Butylcarbamoyl)-2-chloroacetamide |
| IUPAC Name | N-(tert-butylcarbamoyl)-2-chloroacetamide |
| InChI | InChI=1S/C7H13ClN2O2/c1-7(2,3)10-6(12)9-5(11)4-8/h4H2,1-3H3,(H2,9,10,11,12) |
| InChI Key | UUIODKLJRGPXGV-UHFFFAOYSA-N |
| MDL Number | MFCD03948988 |
| Molecular Formula | C7H13ClN2O2 |
| Molecular Weight | 192.6433 |
| SMILES | CC(NC(NC(CCl)=O)=O)(C)C |
| Synonyms | 1-tert-Butyl-3-(2-chloro-acetyl)-urea,
4791-27-9,
N-(tert-butylcarbamoyl)-2-chloroacetamide,
1-tert-butyl-3-(2-chloroacetyl)urea,
1-tert-butyl-3-(chloroacetyl)urea,
[(tert-butyl)amino]-N-(2-chloroacetyl)carboxamide,
AC1Q1MMT,
AC1M63HM,
DTXSID80368175,
ZINC3222704,
SBB016600,
AKOS000272513,
MCULE-7960006711,
NE21300,
NCGC00328979-01,
UPCMLD0ENAT0511-2621:001,
ST50329664,
EN300-04089,
AB01322801-02,
ZINC03222704,
CID2341108,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.643g/mol |
| Monoisotopic Mass | 192.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number