2-Bromo-6-methoxynicotinic Acid - CAS 1009735-25-4
Catalog: |
BB074090 |
Product Name: |
2-Bromo-6-methoxynicotinic Acid |
CAS: |
1009735-25-4 |
Synonyms: |
2-Bromo-6-methoxynicotinic acid; 2-bromo-6-methoxypyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid, 2-bromo-6-methoxy-; 2-Bromo-6-methoxynicotinicacid |
IUPAC Name: | 2-bromo-6-methoxypyridine-3-carboxylic acid |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6NO3Br |
Canonical SMILES: | COC1=NC(=C(C=C1)C(=O)O)Br |
InChI: | InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11) |
InChI Key: | QAKXQUBZHUHURR-UHFFFAOYSA-N |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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