3-Bromopyridine-2-carboxylic acid hydrochloride - CAS 1403967-63-4
Catalog: |
BB071446 |
Product Name: |
3-Bromopyridine-2-carboxylic acid hydrochloride |
CAS: |
1403967-63-4 |
Synonyms: |
3-Bromopyridine-2-carboxylic acid hydrochloride; 3-bromopyridine-2-carboxylic acid; hydrochloride; 3-Bromopyridine-2-carboxylicacidhydrochloride |
IUPAC Name: | 3-bromopyridine-2-carboxylic acidhydrochloride |
Description: | 3-Bromopyridine-2-carboxylic acid hydrochloride |
Molecular Weight: | 202.005+(36.46) |
Molecular Formula: | C6H4BrNO2·HCl |
Canonical SMILES: | C1=CC(=C(N=C1)C(=O)O)Br.Cl |
InChI: | InChI=1S/C6H4BrNO2.ClH/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)1H |
InChI Key: | TVGMINLRJVVAJO-UHFFFAOYSA-N |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.91922 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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