Compound Selection

Formula: C9H11ClO3

MW: 202.64

CAS: 104-29-0

MDL NUMBER: MFCD00021990

IUPAC: 3-(4-chlorophenoxy)propane-1,2-diol

Smiles: O(c1ccc(cc1)Cl)CC(O)CO

THERAPEUTIC CATEGORY: Antifungal

ACCEPTORS: 3

DONORS: 2

ROTATION BONDS: 5

N+O: 3

Chiral Centers: 1

LogP: 1.37

LogS: -3.08

LIPINSKI: 4

Synonyms: MYCIL;(P-CHLOROPHENYL)-A-GLYCERYL ETHER;1,2-Propanediol, 3-(4-chlorophenoxy)-;1,2-Propanediol, 3-(p-chlorophenoxy)-;2-chlorphenesin;3-(4-chlorophenoxy)-2-propanediol;3-(p-chlorophenoxy)-2-propanediol;3-(p-Chlorophenoxy)propane-1,2-diol

CAS:104-29-0

MF:C9H11ClO3

MW:202.63

EINECS:203-192-6

Product Categories: Chlorphenesin

Chemical Properties: mp 77-79C

CAS DataBase Reference: 104-29-0(

CAS DataBase Reference: ) NIST Chemistry Reference1,2-Propanediol, 3-(4-chlorophenoxy)-(104-29-0)

Safety Information: Risk Statements 20/21/22 Safety Statements 26-36 Chlorphenesin

Usage And Synthesis: Chlorphenesin

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