Cas no 56427-55-5 (Benzoic acid, 2-(bromomethyl)-5-chloro-, ethyl ester)
56427-55-5 structure
Product Name:Benzoic acid, 2-(bromomethyl)-5-chloro-, ethyl ester
CAS No:56427-55-5
MF:C10H10BrClO2
MW:277.542201519012
CID:348895
PubChem ID:13272463
Update Time:2025-04-19
Benzoic acid, 2-(bromomethyl)-5-chloro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(bromomethyl)-5-chloro-, ethyl ester
- ethyl 2-(bromomethyl)-5-chlorobenzoate
- ethyl alpha-bromo-4-chloro-o-toluate
- DTXSID10533738
- WUHXRPSJBZFXMU-UHFFFAOYSA-N
- 56427-55-5
- SCHEMBL550547
-
- Inchi： 1S/C10H10BrClO2/c1-2-14-10(13)9-5-8(12)4-3-7(9)6-11/h3-5H,2,6H2,1H3
- InChI Key： WUHXRPSJBZFXMU-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1C(=O)OCC)Cl
Computed Properties
- Exact Mass: 275.9553
- Monoisotopic Mass: 275.95527g/mol
- 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
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-(bromomethyl)-5-chloro-, ethyl ester Related Literature
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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