Cas no 114064-27-6 (Benzene, chlorotrimethyl-)
Benzene, chlorotrimethyl- structure
Product Name:Benzene, chlorotrimethyl-
CAS No:114064-27-6
MF:C9H11Cl
MW:154.636641740799
CID:1202044
PubChem ID:12408996
Update Time:2025-04-20
Benzene, chlorotrimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, chlorotrimethyl-
- 1-chloro-2,3,4-trimethylbenzene
- 114064-27-6
- SCHEMBL5734545
- chlorotrimethylbenzene
- DTXSID80496902
- DB-238232
- 65235-47-4
-
- Inchi： 1S/C9H11Cl/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3
- InChI Key： UPLGVQNVJNEYEO-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C)C(C)=C1C
Computed Properties
- Exact Mass: 154.0549280g/mol
- Monoisotopic Mass: 154.0549280g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 111
- 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: 3.6
- Topological Polar Surface Area: 0?2
Benzene, chlorotrimethyl- Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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