Cas no 835595-06-7 (Benzoic acid, 3-(5,6-dichloro-2-benzofuranyl)-)
835595-06-7 structure
Product Name:Benzoic acid, 3-(5,6-dichloro-2-benzofuranyl)-
CAS No:835595-06-7
MF:C15H8Cl2O3
MW:307.128222465515
CID:669681
PubChem ID:11426765
Update Time:2025-04-19
Benzoic acid, 3-(5,6-dichloro-2-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(5,6-dichloro-2-benzofuranyl)-
- 3-(5,6-dichloro-1-benzofuran-2-yl)benzoic acid
- 3-(5,6-dichloro-2-benzofuranyl)Benzoic acid
- 835595-06-7
- DTXSID70465581
- 3-(5,6-dichlorobenzofuran-2-yl)benzoic Acid
- SCHEMBL5787184
- FT-0739118
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- Inchi： 1S/C15H8Cl2O3/c16-11-5-10-6-13(20-14(10)7-12(11)17)8-2-1-3-9(4-8)15(18)19/h1-7H,(H,18,19)
- InChI Key： RZXMSODAHFTNJT-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)C=C(C1C=CC=C(C(=O)O)C=1)O2)Cl
Computed Properties
- Exact Mass: 305.9850495g/mol
- Monoisotopic Mass: 305.9850495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 376
- 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: 4.8
- Topological Polar Surface Area: 50.4?2
Benzoic acid, 3-(5,6-dichloro-2-benzofuranyl)- Related Literature
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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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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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