Cas no 66191-93-3 (Benzenepropanoic acid, 2-bromo-5-chloro-, methyl ester)
66191-93-3 structure
Product Name:Benzenepropanoic acid, 2-bromo-5-chloro-, methyl ester
CAS No:66191-93-3
MF:C10H10BrClO2
MW:277.542201519012
CID:4118026
PubChem ID:85939485
Update Time:2025-04-24
Benzenepropanoic acid, 2-bromo-5-chloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, 2-bromo-5-chloro-, methyl ester
- methyl 3-(2-bromo-5-chlorophenyl)propanoate
- Methyl 2-bromo-5-chlorobenzenepropanoate
- 66191-93-3
- HS-3289
-
- Inchi： 1S/C10H10BrClO2/c1-14-10(13)5-2-7-6-8(12)3-4-9(7)11/h3-4,6H,2,5H2,1H3
- InChI Key： ARIKQYLZVJPNAT-UHFFFAOYSA-N
- SMILES： C1(CCC(OC)=O)=CC(Cl)=CC=C1Br
Computed Properties
- Exact Mass: 275.95527Da
- Monoisotopic Mass: 275.95527Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 199
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Benzenepropanoic acid, 2-bromo-5-chloro-, methyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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