| CAS Number | 331761-39-8 |
| Catalog Number | AG01A0U3 |
| Chemical Name | 2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide |
| IUPAC Name | 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetohydrazide |
| InChI | InChI=1S/C12H17ClN2O2/c1-7(2)9-5-10(13)8(3)4-11(9)17-6-12(16)15-14/h4-5,7H,6,14H2,1-3H3,(H,15,16) |
| InChI Key | LJZGQKVYRWISRA-UHFFFAOYSA-N |
| MDL Number | MFCD01038350 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | CC(C1=C(OCC(NN)=O)C=C(C)C(Cl)=C1)C |
| Synonyms | 2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide,
331761-39-8,
ZINC5538776,
IMED59064266,
SBB079360,
AKOS008968832,
NE57376,
EN300-111004,
(4-Chloro-2-isopropyl-5-methylphenoxy)acetic acid hydrazide,
2-[4-chloro-5-methyl-2-(methylethyl)phenoxy]acetohydrazide,
2-(4-CHLORO-2-ISOPROPYL-5-METHYLPHENOXY)ACETOHYDRAZIDE,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number