| CAS Number | 56680-68-3 |
| Catalog Number | AG00F05P(AGN-PC-0JLZOX) |
| Chemical Name | Phenol, 3,5-dichloro-4-methoxy- |
| IUPAC Name | 3,5-dichloro-4-methoxyphenol |
| InChI | InChI=1S/C7H6Cl2O2/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3,10H,1H3 |
| InChI Key | TWXPEKCXBROKDD-UHFFFAOYSA-N |
| MDL Number | MFCD12405414 |
| Molecular Formula | C7H6Cl2O2 |
| Molecular Weight | 193.0273 |
| SMILES | COC1=C(Cl)C=C(O)C=C1Cl |
| Synonyms | 3,5-Dichloro-4-methoxyphenol,
56680-68-3,
Phenol, 3,5-dichloro-4-methoxy-,
AC1L3O8S,
AC1Q3MM0,
SCHEMBL8720641,
ZINC5998617,
MFCD12405414,
Z-2837,
3,5-Dichloro-4-methoxyphenol; 3,5-dichloro-4-methoxy-Phenol,
2-Methoxypropionyl chloride,
C7-H6-Cl2-O2,
CID92494,
AR-1E9593,
58351-48-7,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.023g/mol |
| Monoisotopic Mass | 191.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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