Cas no 921597-58-2 (Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl-)
![Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/922000/921597-58-2x500.png)
921597-58-2 structure
Product Name:Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl-
CAS No:921597-58-2
MF:C14H11Cl3O
MW:301.595541238785
CID:744452
PubChem ID:19959804
Update Time:2025-04-19
Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl-
- 4,5-dichloro-2-[(4-chlorophenyl)methyl]-3-methylphenol
- DTXSID40601479
- SCHEMBL1683378
- 921597-58-2
-
- Inchi： 1S/C14H11Cl3O/c1-8-11(13(18)7-12(16)14(8)17)6-9-2-4-10(15)5-3-9/h2-5,7,18H,6H2,1H3
- InChI Key： MHGKADWJGMSEOR-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=C1C)CC1C=CC(=CC=1)Cl)O)Cl
Computed Properties
- Exact Mass: 299.987548g/mol
- Monoisotopic Mass: 299.987548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 266
- 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: 5.7
- Topological Polar Surface Area: 20.2?2
Phenol, dichloro[(4-chlorophenyl)methyl]-3-methyl- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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