Cas no 20116-67-0 (1,2-Benzenedicarboxylic acid, 4-(bromomethyl)-, dimethyl ester)
20116-67-0 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-(bromomethyl)-, dimethyl ester
CAS No:20116-67-0
MF:C11H11BrO4
MW:287.106642961502
CID:1391557
PubChem ID:23255604
Update Time:2025-04-20
1,2-Benzenedicarboxylic acid, 4-(bromomethyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 4-(bromomethyl)-, dimethyl ester
- SCHEMBL1022658
- dimethyl 4-bromomethylphthalate
- 4-(Bromomethyl)-1,2-benzenedicarboxylic acid 1,2-dimethyl ester
- 4-bromomethylphthalic acid dimethyl ester
- DB-194670
- DTXSID401334513
- 20116-67-0
- GGBNXEHEQOOSLP-UHFFFAOYSA-N
-
- Inchi： 1S/C11H11BrO4/c1-15-10(13)8-4-3-7(6-12)5-9(8)11(14)16-2/h3-5H,6H2,1-2H3
- InChI Key： GGBNXEHEQOOSLP-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OC)=C(C(=O)OC)C=1
Computed Properties
- Exact Mass: 285.98403
- Monoisotopic Mass: 285.98407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 267
- 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: 2.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,2-Benzenedicarboxylic acid, 4-(bromomethyl)-, dimethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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