Cas no 1095432-84-0 ((2-Bromo-5-(methoxycarbonyl)phenyl)methylene diacetate)
1095432-84-0 structure
Product Name:(2-Bromo-5-(methoxycarbonyl)phenyl)methylene diacetate
CAS No:1095432-84-0
MF:C13H13BrO6
MW:345.142723798752
CID:2887195
PubChem ID:86727850
Update Time:2025-04-21
(2-Bromo-5-(methoxycarbonyl)phenyl)methylene diacetate Chemical and Physical Properties
Names and Identifiers
-
- (2-bromo-5-(methoxycarbonyl)phenyl)methylene diacetate
- UGFIKOHVYRAXOE-UHFFFAOYSA-N
- 1095432-84-0
- DB-105314
- SCHEMBL15878166
- (2-Bromo-5-(methoxycarbonyl)phenyl)methylene diacetate
-
- Inchi： 1S/C13H13BrO6/c1-7(15)19-13(20-8(2)16)10-6-9(12(17)18-3)4-5-11(10)14/h4-6,13H,1-3H3
- InChI Key： UGFIKOHVYRAXOE-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)OC)C=C1C(OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 343.98955Da
- Monoisotopic Mass: 343.98955Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 367
- 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: 2.2
- Topological Polar Surface Area: 78.9?2
(2-Bromo-5-(methoxycarbonyl)phenyl)methylene diacetate Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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