3-Chloro-2-(chloromethyl)-2-methylpropanoyl Chloride - CAS 4301-04-6
Catalog: |
BB025301 |
Product Name: |
3-Chloro-2-(chloromethyl)-2-methylpropanoyl Chloride |
CAS: |
4301-04-6 |
Synonyms: |
3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride; 3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride |
IUPAC Name: | 3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride |
Description: | 3-Chloro-2-(chloromethyl)-2-methylpropanoyl Chloride (CAS# 4301-04-6 ) is a useful research chemical. |
Molecular Weight: | 189.47 |
Molecular Formula: | C5H7Cl3O |
Canonical SMILES: | CC(CCl)(CCl)C(=O)Cl |
InChI: | InChI=1S/C5H7Cl3O/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3 |
InChI Key: | GTJUHRDCMURWFN-UHFFFAOYSA-N |
MDL: | MFCD00018808 |
LogP: | 2.23570 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109111490-A | Halogenated valeryl glucopyranose and its preparation method for SGLT2 inhibitor | 20180809 |
CN-109111490-B | Halogenated pivaloyl glucopyranose and preparation method thereof for SGLT2 inhibitor | 20180809 |
EP-1698626-A1 | Amidopyrazole derivative | 20031226 |
US-2007219210-A1 | Amidopyrazole Derivative | 20031226 |
EP-1691814-A2 | Anti-inflammatory agents | 20031201 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.956248 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.956248 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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