Cas no 88174-50-9 (Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl-)
88174-50-9 structure
Product Name:Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl-
CAS No:88174-50-9
MF:C11H13ClO2
MW:212.672722578049
CID:642210
PubChem ID:13827199
Update Time:2025-04-19
Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl-
- 5-chloro-2-methoxy-3,4,6-trimethylbenzaldehyde
- DTXSID70550587
- 88174-50-9
- 3-Chloro-6-methoxy-2,4,5-trimethylbenzaldehyde
-
- Inchi： 1S/C11H13ClO2/c1-6-7(2)11(14-4)9(5-13)8(3)10(6)12/h5H,1-4H3
- InChI Key： BAHAENFMGDMHQA-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C(C=O)=C(C(C)=C1C)OC
Computed Properties
- Exact Mass: 212.0604073g/mol
- Monoisotopic Mass: 212.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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