Cas no 2363779-26-2 (methyl 5-bromothiophene-2-carboxylate-3,4-d2)
2363779-26-2 structure
Product Name:methyl 5-bromothiophene-2-carboxylate-3,4-d2
CAS No:2363779-26-2
MF:C6H5BrO2S
MW:223.084023237228
CID:6824795
PubChem ID:172402996
Update Time:2025-03-01
methyl 5-bromothiophene-2-carboxylate-3,4-d2 Chemical and Physical Properties
Names and Identifiers
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- 2363779-26-2
- CS-22881
- methyl 5-bromothiophene-2-carboxylate-3,4-d2
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- Inchi： 1S/C6H5BrO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3/i2D,3D
- InChI Key： QLWUHAQCKDHUNL-PBNXXWCMSA-N
- SMILES： BrC1=C([2H])C([2H])=C(C(=O)OC)S1
Computed Properties
- Exact Mass: 221.93192Da
- Monoisotopic Mass: 221.93192Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 2.8
- Topological Polar Surface Area: 54.5?2
methyl 5-bromothiophene-2-carboxylate-3,4-d2 Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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