Ethyl 4-bromo-1,3-oxazole-5-carboxylate - CAS 1258283-17-8
Catalog: |
BB065821 |
Product Name: |
Ethyl 4-bromo-1,3-oxazole-5-carboxylate |
CAS: |
1258283-17-8 |
Synonyms: |
Ethyl 4-bromooxazole-5-carboxylate; ethyl 4-bromo-1,3-oxazole-5-carboxylate; 5-Oxazolecarboxylic acid, 4-bromo-, ethyl ester; Ethyl4-bromooxazole-5-carboxylate |
IUPAC Name: | ethyl 4-bromo-1,3-oxazole-5-carboxylate |
Molecular Weight: | 220.02 |
Molecular Formula: | C6H6BrNO3 |
Canonical SMILES: | CCOC(=O)C1=C(N=CO1)Br |
InChI: | InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2H2,1H3 |
InChI Key: | ARPHYGHAUCJWCC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): 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: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.95311 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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