Cas no 74725-06-7 (Benzoic acid, 2,5-bis(bromomethyl)-, methyl ester)
74725-06-7 structure
Product Name:Benzoic acid, 2,5-bis(bromomethyl)-, methyl ester
CAS No:74725-06-7
MF:C10H10Br2O2
MW:321.993201732636
CID:540616
PubChem ID:12633556
Update Time:2025-04-19
Benzoic acid, 2,5-bis(bromomethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,5-bis(bromomethyl)-, methyl ester
- 2,5-Bis-broMoMethyl-benzoic acid Methyl ester
- methyl 2,5-bis(bromomethyl)benzoate
- 74725-06-7
- DTXSID00505101
- SCHEMBL1636594
-
- Inchi： 1S/C10H10Br2O2/c1-14-10(13)9-4-7(5-11)2-3-8(9)6-12/h2-4H,5-6H2,1H3
- InChI Key： IXYYTQMKCJWOLL-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(CBr)=CC=1C(=O)OC
Computed Properties
- Exact Mass: 321.90271g/mol
- 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: 197
- 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
Benzoic acid, 2,5-bis(bromomethyl)-, methyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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