Cas no 959687-83-3 (Benzene, 1-bromo-2-(dimethoxymethyl)-4-methyl-)
959687-83-3 structure
Product Name:Benzene, 1-bromo-2-(dimethoxymethyl)-4-methyl-
CAS No:959687-83-3
MF:C10H13BrO2
MW:245.113022565842
CID:5735718
Update Time:2023-11-07
Benzene, 1-bromo-2-(dimethoxymethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-bromo-2-(dimethoxymethyl)-4-methyl-
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- Inchi： 1S/C10H13BrO2/c1-7-4-5-9(11)8(6-7)10(12-2)13-3/h4-6,10H,1-3H3
- InChI Key： KUOYHVCRULZBLC-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(C)C=C1C(OC)OC
Computed Properties
- Exact Mass: 244.01
- Monoisotopic Mass: 244.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 148
- 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
- Topological Polar Surface Area: 18.5A^2
Experimental Properties
- Density: 1.327±0.06 g/cm3(Predicted)
- Boiling Point: 253.0±35.0 °C(Predicted)
Benzene, 1-bromo-2-(dimethoxymethyl)-4-methyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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