Cas no 753455-42-4 (Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester)
753455-42-4 structure
Product Name:Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester
CAS No:753455-42-4
MF:C12H12Br2O3
MW:364.02988243103
CID:835838
PubChem ID:71651167
Update Time:2025-04-19
Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester
- TERT-BUTYL 3,5-DIBROMO-4-FORMYLBENZOATE
- tert-butyl 3,5-dibromo-4-formyl-benzoate
- 753455-42-4
-
- Inchi: 1S/C12H12Br2O3/c1-12(2,3)17-11(16)7-4-9(13)8(6-15)10(14)5-7/h4-6H,1-3H3
- InChI Key: YXIARMMFBCEILX-UHFFFAOYSA-N
- SMILES: BrC1C(C=O)=C(C=C(C=1)C(=O)OC(C)(C)C)Br
Computed Properties
- Exact Mass: 363.91327g/mol
- Monoisotopic Mass: 361.91532g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 287
- 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: 3.6
- Topological Polar Surface Area: 43.4?2
Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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