| CAS Number | 1125-66-2 |
| Catalog Number | AG00826W(AGN-PC-0JOJIJ) |
| Chemical Name | 4-Chloro-3-ethyl-5-methylphenol |
| IUPAC Name | 4-chloro-3-ethyl-5-methylphenol |
| InChI | InChI=1S/C9H11ClO/c1-3-7-5-8(11)4-6(2)9(7)10/h4-5,11H,3H2,1-2H3 |
| InChI Key | KOIPGHKKJDOUNZ-UHFFFAOYSA-N |
| MDL Number | MFCD00085401 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| NSC Number | 60263 |
| SMILES | CCc1cc(O)cc(c1Cl)C |
| Synonyms | 4-Chloro-3-ethyl-5-methylphenol,
1125-66-2,
4-Chloro-3-ethyl-5-methyl-phenol,
NSC60263,
AC1Q2TCS,
AC1L6IT5,
AC1Q3L72,
CTK0I4251,
DTXSID00289313,
KOIPGHKKJDOUNZ-UHFFFAOYSA-N,
ZINC1690105,
4-Chloro-3-ethyl-5-methylphenol #,
NSC-60263,
AKOS006274900,
Phenol, 4-chloro-3-ethyl-5-methyl-,
AR-1G1632,
CID246771,
126371-03-7,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number