| CAS Number | 18113-13-8 |
| Catalog Number | AG0022PA(AGN-PC-00PRE3) |
| Chemical Name | Phenol, 2,4-dichloro-5-methoxy- |
| IUPAC Name | 2,4-dichloro-5-methoxyphenol |
| InChI | InChI=1S/C7H6Cl2O2/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3,10H,1H3 |
| InChI Key | PTQSMAIBWQQYKJ-UHFFFAOYSA-N |
| MDL Number | MFCD10699699 |
| Molecular Formula | C7H6Cl2O2 |
| Molecular Weight | 193.0273 |
| SMILES | OC1=CC(OC)=C(Cl)C=C1Cl |
| Synonyms | 2,4-DICHLORO-5-METHOXYPHENOL,
18113-13-8,
SCHEMBL7792597,
CTK4D7811,
DTXSID90574846,
Phenol, 2,4-dichloro-5-methoxy-,
ANW-23046,
FCH882509,
MFCD10699699,
ZINC34593084,
AKOS006303442,
ACM18113138,
AJ-89605,
AX8250266,
K-5533,
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| Complexity | 132 |
| 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 | 3.3 |
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Certificate of Analysis
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