4-(Chloromethyl)-2-isopropyloxazole - CAS 39624-97-0
Catalog: |
BB024060 |
Product Name: |
4-(Chloromethyl)-2-isopropyloxazole |
CAS: |
39624-97-0 |
Synonyms: |
4-(chloromethyl)-2-propan-2-yloxazole; 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole |
IUPAC Name: | 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole |
Description: | 4-(Chloromethyl)-2-isopropyloxazole (CAS# 39624-97-0) is a useful research chemical. |
Molecular Weight: | 159.61 |
Molecular Formula: | C7H10ClNO |
Canonical SMILES: | CC(C)C1=NC(=CO1)CCl |
InChI: | InChI=1S/C7H10ClNO/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3 |
InChI Key: | OPCOPSQQXAHCMD-UHFFFAOYSA-N |
Boiling Point: | 204.4 °C at 760 mmHg |
Density: | 1.114 g/cm3 |
MDL: | MFCD07787390 |
LogP: | 2.53680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2665698-A1 | Use of spiro-oxindole compounds as therapeutic agents | 20061012 |
EP-2073806-A2 | Use of spiro-oxindole compounds as therapeutic agents | 20061012 |
EP-2073806-B1 | Use of spiro-oxindole compounds as therapeutic agents | 20061012 |
JP-2010506854-A | Use of spiro-oxindole compounds as therapeutic agents | 20061012 |
JP-2013256539-A | Use of spiro-oxindole compounds as therapeutic agents | 20061012 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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