Cas no 807667-28-3 (Benzenepropanal, a,4-dichloro-3-methyl-)
807667-28-3 structure
Product Name:Benzenepropanal, a,4-dichloro-3-methyl-
CAS No:807667-28-3
MF:C10H10Cl2O
MW:217.091801166534
CID:715053
PubChem ID:45097513
Update Time:2025-04-19
Benzenepropanal, a,4-dichloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, a,4-dichloro-3-methyl-
- 2-chloro-3-(4-chloro-3-methylphenyl)propanal
- Benzenepropanal, alpha,4-dichloro-3-methyl- (9CI)
- 807667-28-3
- DTXSID50667607
-
- Inchi： 1S/C10H10Cl2O/c1-7-4-8(2-3-10(7)12)5-9(11)6-13/h2-4,6,9H,5H2,1H3
- InChI Key： BPAKCAXTKFPYLW-UHFFFAOYSA-N
- SMILES： ClC(C=O)CC1C=CC(=C(C)C=1)Cl
Computed Properties
- Exact Mass: 216.011
- Monoisotopic Mass: 216.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.3
Benzenepropanal, a,4-dichloro-3-methyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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