Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate - CAS 1138444-37-7
Catalog: |
BB003273 |
Product Name: |
Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate |
CAS: |
1138444-37-7 |
Synonyms: |
ethyl 4-(bromomethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 4-(bromomethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylate |
Description: | Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate (CAS# 1138444-37-7) is a useful research chemical. |
Molecular Weight: | 327.20 |
Molecular Formula: | C12H11BrN2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)C2=CC=CC=N2)CBr |
InChI: | InChI=1S/C12H11BrN2O2S/c1-2-17-12(16)10-9(7-13)15-11(18-10)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3 |
InChI Key: | RNJKUHUGSBTCRJ-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
MDL: | MFCD11869291 |
LogP: | 3.27670 |
GHS Hazard Statement: | H315 (90.48%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (90.48%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.97246 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.97246 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Oxazole/Thiazole
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