tert-Butyl 2-Chloro-2-oxoacetate - CAS 39061-59-1
Catalog: |
BB070866 |
Product Name: |
tert-Butyl 2-Chloro-2-oxoacetate |
CAS: |
39061-59-1 |
Synonyms: |
tert-butyl 2-chloro-2-oxoacetate; Acetic acid, chlorooxo-, 1,1-dimethylethyl ester; t-butyl chlorooxalate; t-butyl 2-chloro-2-oxoacetate; tert-butyl2-chloro-2-oxoacetate |
IUPAC Name: | tert-butyl 2-chloro-2-oxoacetate |
Molecular Weight: | 164.58 |
Molecular Formula: | C6H9O3Cl |
Canonical SMILES: | CC(C)(C)OC(=O)C(=O)Cl |
InChI: | InChI=1S/C6H9ClO3/c1-6(2,3)10-5(9)4(7)8/h1-3H3 |
InChI Key: | UDACWKHNECHEBB-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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