1-Chloro-3-phenoxy-propan-2-ol - CAS 4769-73-7
Catalog: |
BB055172 |
Product Name: |
1-Chloro-3-phenoxy-propan-2-ol |
CAS: |
4769-73-7 |
Synonyms: |
1-Chloro-3-phenoxypropan-2-ol; 1-Chloro-3-phenoxy-2-propanol; 1-Chloro-2-hydroxy-3-phenoxypropane; 2-Propanol, 1-chloro-3-phenoxy- |
IUPAC Name: | 1-chloro-3-phenoxypropan-2-ol |
Molecular Weight: | 186.63 |
Molecular Formula: | C9H11O2Cl |
Canonical SMILES: | C1=CC=C(C=C1)OCC(CCl)O |
InChI: | InChI=1S/C9H11ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2 |
InChI Key: | HCTDRZMGZRHFJV-UHFFFAOYSA-N |
References: | Bowen, D.O., et al. Adv. Chem. Ser. 92, 48 (1970). |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0447573 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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