Cas no 56984-35-1 (1,3-Benzenedicarboxylic acid, 4-bromo-, diethyl ester)
56984-35-1 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-bromo-, diethyl ester
CAS No:56984-35-1
MF:C12H13BrO4
MW:301.133223295212
CID:347024
PubChem ID:11524187
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4-bromo-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4-bromo-, diethyl ester
- diethyl 4-bromobenzene-1,3-dicarboxylate
- 56984-35-1
- DTXSID90468039
- AMIIIXXHQPWVFM-UHFFFAOYSA-N
- 4-bromoisophthalic acid diethyl ester
- DIETHYL 4-BROMOISOPHTHALATE
- SCHEMBL277473
- AB69254
- FT-0709685
- 4-bromo-1,3-benzenedicarboxylic acid diethyl ester
-
- Inchi： 1S/C12H13BrO4/c1-3-16-11(14)8-5-6-10(13)9(7-8)12(15)17-4-2/h5-7H,3-4H2,1-2H3
- InChI Key： AMIIIXXHQPWVFM-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)OCC)C=C1C(=O)OCC
Computed Properties
- Exact Mass: 299.99969
- Monoisotopic Mass: 299.99972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 280
- 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: 3.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Benzenedicarboxylic acid, 4-bromo-, diethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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