Cas no 760-95-2 (Nonanedioic acid,2-bromo-, 1,9-diethyl ester)
760-95-2 structure
Product Name:Nonanedioic acid,2-bromo-, 1,9-diethyl ester
CAS No:760-95-2
MF:C13H23BrO4
MW:323.22332406044
CID:568851
PubChem ID:102480
Update Time:2025-04-19
Nonanedioic acid,2-bromo-, 1,9-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanedioic acid,2-bromo-, 1,9-diethyl ester
- Diethyl 2-bromononanedioate
- EINECS 212-085-3
- 760-95-2
- DTXSID30997358
- NS00042182
- SCHEMBL9489696
-
- Inchi： 1S/C13H23BrO4/c1-3-17-12(15)10-8-6-5-7-9-11(14)13(16)18-4-2/h11H,3-10H2,1-2H3
- InChI Key： ZMINIOSEUPWFEA-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OCC)CCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 322.07799
- Monoisotopic Mass: 322.07797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 243
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Nonanedioic acid,2-bromo-, 1,9-diethyl ester Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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