2-(3,4-Dichlorophenyl)-1,3-propanediol - CAS 773871-83-3
Catalog: |
BB035917 |
Product Name: |
2-(3,4-Dichlorophenyl)-1,3-propanediol |
CAS: |
773871-83-3 |
Synonyms: |
2-(3,4-dichlorophenyl)propane-1,3-diol; 2-(3,4-dichlorophenyl)propane-1,3-diol |
IUPAC Name: | 2-(3,4-dichlorophenyl)propane-1,3-diol |
Description: | 2-(3,4-Dichlorophenyl)-1,3-propanediol (CAS# 773871-83-3 ) is a useful research chemical. |
Molecular Weight: | 221.08 |
Molecular Formula: | C9H10Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(CO)CO)Cl)Cl |
InChI: | InChI=1S/C9H10Cl2O2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-3,7,12-13H,4-5H2 |
InChI Key: | UFIWJDMOIDVROW-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.0057849 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.0057849 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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