Cas no 622835-93-2 (Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate)
622835-93-2 structure
Product Name:Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
CAS No:622835-93-2
MF:C9H8BrClO2
MW:263.515621185303
CID:68497
PubChem ID:41067191
Update Time:2025-04-18
Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
- METHYL ALPHA-BROMO-2-CHLOROBENZENEACETIC ACETATE
- SCHEMBL1417549
- 622835-93-2
-
- Inchi: 1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3/t8-/m1/s1
- InChI Key: HMBUCZUZRQQJQD-MRVPVSSYSA-N
- SMILES: Br[C@@H](C(=O)OC)C1C=CC=CC=1Cl
Computed Properties
- Exact Mass: 261.93964
- Monoisotopic Mass: 261.94
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.567
- Boiling Point: 281 oC
- Flash Point: 124 oC
- Refractive Index: 1.565
- PSA: 26.3
- LogP: 2.94900
Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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