Cas no 6953-64-6 (Benzeneacetic acid, a-bromo-, propyl ester)
6953-64-6 structure
Product Name:Benzeneacetic acid, a-bromo-, propyl ester
CAS No:6953-64-6
MF:C11H13BrO2
MW:257.123722791672
CID:508464
PubChem ID:236378
Update Time:2025-04-19
Benzeneacetic acid, a-bromo-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-bromo-, propyl ester
- propyl 2-bromo-2-phenylacetate
- 6953-64-6
- DTXSID50284757
- NSC-38809
- NSC38809
- propyl bromo(phenyl)acetate
- SCHEMBL2419442
-
- Inchi： 1S/C11H13BrO2/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
- InChI Key： DFORELXXQPYYGT-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OCCC)C1C=CC=CC=1
Computed Properties
- Exact Mass: 256.00989
- Monoisotopic Mass: 256.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.359
- Boiling Point: 285.7°Cat760mmHg
- Flash Point: 126.6°C
- Refractive Index: 1.538
- PSA: 26.3
Benzeneacetic acid, a-bromo-, propyl ester Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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