Cas no 21815-07-6 (2-Thiophenecarbonyl chloride, 4,5-dibromo-)
21815-07-6 structure
Product Name:2-Thiophenecarbonyl chloride, 4,5-dibromo-
CAS No:21815-07-6
MF:C5HBr2ClOS
MW:304.386837720871
CID:1404371
PubChem ID:13418987
Update Time:2025-04-20
2-Thiophenecarbonyl chloride, 4,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarbonyl chloride, 4,5-dibromo-
- 4,5-dibromo-2-Thiophenecarbonyl chloride
- 4,5-dibromothiophene-2-carbonyl chloride
- GHTYWAJRIXJGMS-UHFFFAOYSA-N
- 4,5-dibromo-thiophene-2-carbonyl chloride
- 4.5-dibromothiophene-2-carboxylic chloride
- SCHEMBL7892619
- DTXSID00540219
- 21815-07-6
- AKOS019102195
- DB-339914
-
- Inchi： 1S/C5HBr2ClOS/c6-2-1-3(5(8)9)10-4(2)7/h1H
- InChI Key： GHTYWAJRIXJGMS-UHFFFAOYSA-N
- SMILES： BrC1=C(SC(C(=O)Cl)=C1)Br
Computed Properties
- Exact Mass: 301.78033
- Monoisotopic Mass: 301.78034g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 155
- 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: 4.2
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
2-Thiophenecarbonyl chloride, 4,5-dibromo- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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