| CAS Number | 137990-82-0 |
| Catalog Number | AG009VRQ(AGN-PC-0NKT5R) |
| Chemical Name | Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(3-chloro-2-oxopropyl)carbamate |
| InChI | InChI=1S/C8H14ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h4-5H2,1-3H3,(H,10,12) |
| InChI Key | UCZJERMRQOJXHU-UHFFFAOYSA-N |
| MDL Number | MFCD17215749 |
| Molecular Formula | C8H14ClNO3 |
| Molecular Weight | 207.6547 |
| SMILES | O=C(NCC(CCl)=O)OC(C)(C)C |
| Synonyms | 137990-82-0,
tert-Butyl (3-chloro-2-oxopropyl)carbamate,
Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI),
SCHEMBL13000099,
CTK8G8894,
DTXSID00577580,
UCZJERMRQOJXHU-UHFFFAOYSA-N,
ZINC39093469,
AKOS022174092,
AJ-98306,
DB-029567,
FT-0759630,
tert-butyl N-(3-chloro-2-oxopropyl)carbamate,
CARBAMIC ACID, (3-CHLORO-2-OXOPROPYL)-, 1,1-DIMETHYLETHYL ESTER,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.654g/mol |
| Monoisotopic Mass | 207.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number