5-Bromo-1,3,4-thiadiazole-2-carboxylic Acid - CAS 933716-45-1
Catalog: |
BB040876 |
Product Name: |
5-Bromo-1,3,4-thiadiazole-2-carboxylic Acid |
CAS: |
933716-45-1 |
Synonyms: |
5-bromo-1,3,4-thiadiazole-2-carboxylic acid; 5-bromo-1,3,4-thiadiazole-2-carboxylic acid |
IUPAC Name: | 5-bromo-1,3,4-thiadiazole-2-carboxylic acid |
Description: | 5-Bromo-1,3,4-thiadiazole-2-carboxylic Acid (CAS# 933716-45-1 ) is a useful research chemical. |
Molecular Weight: | 209.02 |
Molecular Formula: | C3HBrN2O2S |
Canonical SMILES: | C1(=NN=C(S1)Br)C(=O)O |
InChI: | InChI=1S/C3HBrN2O2S/c4-3-6-5-1(9-3)2(7)8/h(H,7,8) |
InChI Key: | PXEXWKASJVJDHJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
Publication Number | Title | Priority Date |
TW-I659953-B | Preparation and use of β-endoamine compound substituted by hydrazine | 20120124 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.89421 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.89421 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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