Cas no 5458-11-7 (5-(2,3-dibromopropyl)-1,3-benzodioxole)
5458-11-7 structure
Product Name:5-(2,3-dibromopropyl)-1,3-benzodioxole
CAS No:5458-11-7
MF:C10H10Br2O2
MW:321.993201732636
CID:942072
PubChem ID:229779
Update Time:2025-04-19
5-(2,3-dibromopropyl)-1,3-benzodioxole Chemical and Physical Properties
Names and Identifiers
-
- 5-(2,3-dibromopropyl)-1,3-benzodioxole
- NSC-23732
- 5458-11-7
- NSC23732
-
- Inchi： 1S/C10H10Br2O2/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8H,3,5-6H2
- InChI Key： OUMIAFCYDYHQRL-UHFFFAOYSA-N
- SMILES： BrC(CBr)CC1=CC=C2C(=C1)OCO2
Computed Properties
- Exact Mass: 319.9047
- Monoisotopic Mass: 319.90475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
5-(2,3-dibromopropyl)-1,3-benzodioxole Related Literature
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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