4-Iodo-5-methylisoxazole - CAS 7064-38-2
Catalog: |
BB034203 |
Product Name: |
4-Iodo-5-methylisoxazole |
CAS: |
7064-38-2 |
Synonyms: |
4-iodo-5-methylisoxazole; 4-iodo-5-methyl-1,2-oxazole |
IUPAC Name: | 4-iodo-5-methyl-1,2-oxazole |
Description: | 4-Iodo-5-methylisoxazole (CAS# 7064-38-2) is a useful research chemical. |
Molecular Weight: | 208.99 |
Molecular Formula: | C4H4INO |
Canonical SMILES: | CC1=C(C=NO1)I |
InChI: | InChI=1S/C4H4INO/c1-3-4(5)2-6-7-3/h2H,1H3 |
InChI Key: | NFLDXKDDDKVRSN-UHFFFAOYSA-N |
Boiling Point: | 228 °C at 760 mmHg |
Density: | 2.013 g/cm3 |
LogP: | 1.58760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020225569-A1 | Phenyl-sulfamoyl.benzoyc acids as erap1 modulators | 20190509 |
WO-2020104822-A1 | Compounds | 20181123 |
CN-113056305-A | Compound (I) | 20181123 |
EP-3883650-A1 | Compounds | 20181123 |
KR-20210095647-A | compound | 20181123 |
Complexity: | 68.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.93376 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.93376 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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