Cas no 110929-20-9 (Benzoic acid, 4-bromo-, (4-bromophenyl)methyl ester)
110929-20-9 structure
Product Name:Benzoic acid, 4-bromo-, (4-bromophenyl)methyl ester
CAS No:110929-20-9
MF:C14H10Br2O2
MW:370.036002635956
CID:1195323
PubChem ID:11383102
Update Time:2025-04-20
Benzoic acid, 4-bromo-, (4-bromophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-bromo-, (4-bromophenyl)methyl ester
- (4-bromophenyl)methyl 4-bromobenzoate
- 110929-20-9
- 4-bromobenzyl 4-bromobenzoate
- DTXSID70464231
-
- Inchi： 1S/C14H10Br2O2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
- InChI Key： GSXUPUISPMBFQA-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC(C1C=CC(=CC=1)Br)=O
Computed Properties
- Exact Mass: 367.9047
- Monoisotopic Mass: 367.90475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 267
- 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: 5.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-bromo-, (4-bromophenyl)methyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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