Cas no 34679-09-9 (5-bromo-6-(methoxymethyl)-1,3-benzodioxole)
34679-09-9 structure
Product Name:5-bromo-6-(methoxymethyl)-1,3-benzodioxole
CAS No:34679-09-9
MF:C9H9BrO3
MW:245.069962263107
CID:919421
PubChem ID:232497
Update Time:2025-04-19
5-bromo-6-(methoxymethyl)-1,3-benzodioxole Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-6-(methoxymethyl)-1,3-benzodioxole
- 1-bromo-2-(methoxymethyl)-4,5-(methylenedioxy)benzene
- 3-butyl-4-bromo-5-(dibromomethylidene)-2(5H)-furanone
- 4-bromo-3-butyl-5-(dibromomethylene)furan-2(5H)-one
- 4-bromo-5-(dibromomethylene)-3-butyl-2(5H)-furanone
- 4-bromo-5-(methoxymethyl)-1,2-(methylenedioxy)benzene
- 6-bromopiperonyl methyl ether
- AC1L7KKS
- AC1Q6H1O
- AG-K-97887
- CHEMBL450196
- CTK2B0012
- fimbrolide (dibromo)
- NCI60_008273
- NSC626155
- SureCN6745453
- 34679-09-9
- DTXSID00956159
- 5-Bromo-6-(methoxymethyl)-2H-1,3-benzodioxole
- NSC-30055
- NSC30055
-
- Inchi： 1S/C9H9BrO3/c1-11-4-6-2-8-9(3-7(6)10)13-5-12-8/h2-3H,4-5H2,1H3
- InChI Key： DPUCLMCMWZBDCJ-UHFFFAOYSA-N
- SMILES： BrC1=CC2=C(C=C1COC)OCO2
Computed Properties
- Exact Mass: 243.97347
- Monoisotopic Mass: 243.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 2.1
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
- LogP: 2.32420
5-bromo-6-(methoxymethyl)-1,3-benzodioxole Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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