1-Bromoimidazo[1,5-a]pyridine-3-carboxylic Acid - CAS 1784021-95-9
Catalog: |
BB061587 |
Product Name: |
1-Bromoimidazo[1,5-a]pyridine-3-carboxylic Acid |
CAS: |
1784021-95-9 |
Synonyms: |
1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid; 1-bromoimidazo[1,5-a]pyridine-3-carboxylicacid |
IUPAC Name: | 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5N2O2Br |
Canonical SMILES: | C1=CC2=C(N=C(N2C=C1)C(=O)O)Br |
InChI: | InChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H,(H,12,13) |
InChI Key: | ZHBCSASHICLCOL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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