Cas no 140897-47-8 (Benzaldehyde, 4-chloro-3-phenoxy-)
140897-47-8 structure
Product Name:Benzaldehyde, 4-chloro-3-phenoxy-
CAS No:140897-47-8
MF:C13H9ClO2
MW:232.66236281395
CID:1308430
PubChem ID:15300641
Update Time:2025-04-20
Benzaldehyde, 4-chloro-3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-chloro-3-phenoxy-
- DB-412545
- 4-chloro-3-phenoxybenzaldehyde
- WKRVENJBJMITFI-UHFFFAOYSA-N
- SCHEMBL8187061
- 140897-47-8
-
- Inchi： 1S/C13H9ClO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H
- InChI Key： WKRVENJBJMITFI-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=O)C=C1OC1C=CC=CC=1
Computed Properties
- Exact Mass: 232.02917
- Monoisotopic Mass: 232.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzaldehyde, 4-chloro-3-phenoxy- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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