5-Bromo-2-methyloxazole-4-carboxylic acid - CAS 1209573-86-3
Catalog: |
BB071345 |
Product Name: |
5-Bromo-2-methyloxazole-4-carboxylic acid |
CAS: |
1209573-86-3 |
Synonyms: |
5-Bromo-2-methyloxazole-4-carboxylic acid; 5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid |
Description: | 5-Bromo-2-methyloxazole-4-carboxylic acid |
Molecular Weight: | 205.99 |
Molecular Formula: | C5H4BrNO3 |
Canonical SMILES: | CC1=NC(=C(O1)Br)C(=O)O |
InChI: | InChI=1S/C5H4BrNO3/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9) |
InChI Key: | DYSCBFBGIQPIAS-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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