2-Bromo-1-methylimidazole-5-carbaldehyde - CAS 79326-89-9
Catalog: |
BB071529 |
Product Name: |
2-Bromo-1-methylimidazole-5-carbaldehyde |
CAS: |
79326-89-9 |
Synonyms: |
2-BROMO-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE; 2-Bromo-1-methylimidazole-5-carbaldehyde; 2-bromo-3-methylimidazole-4-carbaldehyde; 2-bromo-3-methyl-3h-imidazole-4-carbaldehyde |
IUPAC Name: | 2-bromo-3-methylimidazole-4-carbaldehyde |
Description: | 2-Bromo-1-methylimidazole-5-carbaldehyde |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CN1C(=CN=C1Br)C=O |
InChI: | InChI=1S/C5H5BrN2O/c1-8-4(3-9)2-7-5(8)6/h2-3H,1H3 |
InChI Key: | LKCRFFLSIUUVIB-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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