Cas no 27796-57-2 (Benzoic acid,3-methoxy-, 2-bromoethyl ester)
27796-57-2 structure
Product Name:Benzoic acid,3-methoxy-, 2-bromoethyl ester
CAS No:27796-57-2
MF:C10H11BrO3
MW:259.096542596817
CID:285543
PubChem ID:280397
Update Time:2025-04-19
Benzoic acid,3-methoxy-, 2-bromoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methoxy-, 2-bromoethyl ester
- 2-bromoethyl 3-methoxybenzoate
- AC1L5S80
- AC1Q27ZA
- AG-J-01528
- AR-1D9605
- CTK4G0265
- NSC131999
- NSC-131999
- 27796-57-2
- DTXSID20299676
-
- Inchi： 1S/C10H11BrO3/c1-13-9-4-2-3-8(7-9)10(12)14-6-5-11/h2-4,7H,5-6H2,1H3
- InChI Key： AYGLAAMIOKSUMW-UHFFFAOYSA-N
- SMILES： BrCCOC(C1C=CC=C(C=1)OC)=O
Computed Properties
- Exact Mass: 257.98913
- Monoisotopic Mass: 257.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 184
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 2.24690
Benzoic acid,3-methoxy-, 2-bromoethyl ester Related Literature
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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