| CAS Number | 87603-45-0 |
| Catalog Number | AG004LR0(AGN-PC-0WB59T) |
| Chemical Name | 2-chloro-N-isobutylpropanamide |
| IUPAC Name | 2-chloro-N-(2-methylpropyl)propanamide |
| InChI | InChI=1S/C7H14ClNO/c1-5(2)4-9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10) |
| InChI Key | DACYGWNELUVMHS-UHFFFAOYSA-N |
| MDL Number | MFCD09802009 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | C(C(C)Cl)(=O)NCC(C)C |
| Synonyms | 2-chloro-N-isobutylpropanamide,
87603-45-0,
2-chloro-N-(2-methylpropyl)propanamide,
AC1Q1PNI,
SCHEMBL11061292,
CTK5F8744,
DTXSID30607187,
MFCD09802009,
STK499527,
AKOS000100043,
AKOS017283055,
MCULE-3020134212,
BB 0217132,
EN300-23333,
Y-5509,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number