Cas no 88174-22-5 (Benzaldehyde, 2-chloro-4,6-dimethyl-)
88174-22-5 structure
Product Name:Benzaldehyde, 2-chloro-4,6-dimethyl-
CAS No:88174-22-5
MF:C9H9ClO
MW:168.620161771774
CID:642240
PubChem ID:13827184
Update Time:2025-04-19
Benzaldehyde, 2-chloro-4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-chloro-4,6-dimethyl-
- 2-chloro-4,6-dimethylbenzaldehyde
- DTXSID20550572
- 88174-22-5
-
- Inchi： 1S/C9H9ClO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,1-2H3
- InChI Key： VRQBJXIKTQNAKK-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=CC(C)=C1C=O
Computed Properties
- Exact Mass: 168.0341926g/mol
- Monoisotopic Mass: 168.0341926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 2.7
- Topological Polar Surface Area: 17.1?2
Benzaldehyde, 2-chloro-4,6-dimethyl- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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