| CAS Number | 1016813-78-7 |
| Catalog Number | AG019KPJ |
| Chemical Name | 2-chloro-N-(3-methylbutyl)propanamide |
| IUPAC Name | 2-chloro-N-(3-methylbutyl)propanamide |
| InChI | InChI=1S/C8H16ClNO/c1-6(2)4-5-10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11) |
| InChI Key | FFVVYXGZRFGDQB-UHFFFAOYSA-N |
| MDL Number | MFCD09947369 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | CC(CCNC(C(Cl)C)=O)C |
| Synonyms | 2-chloro-N-(3-methylbutyl)propanamide,
1016813-78-7,
CTK6A7776,
AKOS000194122,
NE38583,
EN300-27913,
AC1Q1PFB,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.67g/mol |
| Monoisotopic Mass | 177.092042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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