Cas no 80775-42-4 (1-(5-bromothiophen-2-yl)-3-chloropropan-1-one)
80775-42-4 structure
Product Name:1-(5-bromothiophen-2-yl)-3-chloropropan-1-one
CAS No:80775-42-4
MF:C7H6BrClOS
MW:253.543939113617
CID:1803876
PubChem ID:12867664
Update Time:2025-04-21
1-(5-bromothiophen-2-yl)-3-chloropropan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-bromothiophen-2-yl)-3-chloropropan-1-one
- 1-(5-bromo-2-thienyl)-3-chloro- 1-Propanone
- SCHEMBL2070109
- DTXSID10511915
- AKOS022273438
- OBPFDXHKDIMYBQ-UHFFFAOYSA-N
- 80775-42-4
- DB-311091
-
- Inchi： 1S/C7H6BrClOS/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2H,3-4H2
- InChI Key： OBPFDXHKDIMYBQ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(CCCl)=O)S1
Computed Properties
- Exact Mass: 251.90113g/mol
- Monoisotopic Mass: 251.90113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 153
- 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: 3.2
- Topological Polar Surface Area: 45.3?2
1-(5-bromothiophen-2-yl)-3-chloropropan-1-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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