Cas no 6415-48-1 (Nonanedioic acid, 2-bromo-, dimethyl ester)
6415-48-1 structure
Product Name:Nonanedioic acid, 2-bromo-, dimethyl ester
CAS No:6415-48-1
MF:C11H19BrO4
MW:295.170163393021
CID:424862
PubChem ID:12760707
Update Time:2025-04-19
Nonanedioic acid, 2-bromo-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanedioic acid, 2-bromo-, dimethyl ester
- dimethyl 2-bromononanedioate
- dimethyl 2bromononanedioate
- DTXSID10509211
- 6415-48-1
- dimethyl 2-bromoazelate
- NKCWWDCKKGWJTJ-UHFFFAOYSA-N
- FT-0703107
- SCHEMBL10929017
-
- Inchi： 1S/C11H19BrO4/c1-15-10(13)8-6-4-3-5-7-9(12)11(14)16-2/h9H,3-8H2,1-2H3
- InChI Key： NKCWWDCKKGWJTJ-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)CCCCCCC(=O)OC
Computed Properties
- Exact Mass: 294.04667
- Monoisotopic Mass: 294.04667g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 218
- 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: 2.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Nonanedioic acid, 2-bromo-, dimethyl ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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