Cas no 56263-51-5 (Benzoic acid, 2,6-bis(bromomethyl)-, methyl ester)
56263-51-5 structure
Product Name:Benzoic acid, 2,6-bis(bromomethyl)-, methyl ester
CAS No:56263-51-5
MF:C10H10Br2O2
MW:321.993201732636
CID:349391
PubChem ID:12217901
Update Time:2025-04-19
Benzoic acid, 2,6-bis(bromomethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,6-bis(bromomethyl)-, methyl ester
- methyl 2,6-bis(bromomethyl)benzoate
- DTXSID40480968
- SCHEMBL9544732
- 56263-51-5
-
- Inchi： 1S/C10H10Br2O2/c1-14-10(13)9-7(5-11)3-2-4-8(9)6-12/h2-4H,5-6H2,1H3
- InChI Key： LESPRDFKPBRKDV-UHFFFAOYSA-N
- SMILES： BrCC1C=CC=C(CBr)C=1C(=O)OC
Computed Properties
- Exact Mass: 319.9047
- Monoisotopic Mass: 319.90475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 185
- 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: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,6-bis(bromomethyl)-, methyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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