Cas no 55171-62-5 (1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-)
55171-62-5 structure
Product Name:1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-
CAS No:55171-62-5
MF:C8H4BrClO3
MW:263.472560882568
CID:352663
PubChem ID:10912357
Update Time:2025-04-19
1,3-Benzodioxole-5-carbonyl chloride, 6-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-
- 6-bromo-1,3-benzodioxole-5-carbonyl chloride
- 6-bromobenzo[d][1,3]dioxole-5-carbonyl chloride
- 55171-62-5
- DTXSID30448153
- SCHEMBL11832759
-
- Inchi: 1S/C8H4BrClO3/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2
- InChI Key: RZGAENGFJFRMLS-UHFFFAOYSA-N
- SMILES: BrC1=CC2=C(C=C1C(=O)Cl)OCO2
Computed Properties
- Exact Mass: 261.90322
- Monoisotopic Mass: 261.90323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 223
- 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: 2.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1,3-Benzodioxole-5-carbonyl chloride, 6-bromo- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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