Cas no 104865-88-5 (Benzene,1-bromo-4-(trimethoxymethyl)-)
104865-88-5 structure
Product Name:Benzene,1-bromo-4-(trimethoxymethyl)-
CAS No:104865-88-5
MF:C10H13BrO3
MW:261.112422704697
CID:136812
PubChem ID:13581279
Update Time:2025-04-19
Benzene,1-bromo-4-(trimethoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-bromo-4-(trimethoxymethyl)-
- 1-bromo-4-(trimethoxymethyl)benzene
- TRIMETHYL 4-BROMOORTHOBENZOATE
- 1-bromo-4-trimethoxymethyl-benzene
- Benzene,1-bromo-4-(trimethoxymethyl)
- I01-9326
- trimethyl 4-bromobenzoate
- AKOS011075992
- 104865-88-5
- CFOZPJJVBOHJPL-UHFFFAOYSA-N
- DTXSID70544289
- SCHEMBL2705238
- Trimethyl 4-bromo-orthobenzoate
-
- Inchi： 1S/C10H13BrO3/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
- InChI Key： CFOZPJJVBOHJPL-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(OC)(OC)OC
Computed Properties
- Exact Mass: 260.00500
- Monoisotopic Mass: 260.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 155
- 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
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69000
- LogP: 2.49860
Benzene,1-bromo-4-(trimethoxymethyl)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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