1-[4-(Chloromethyl)-2-thienyl]ethanone - CAS 33148-79-7
Catalog: |
BB021578 |
Product Name: |
1-[4-(Chloromethyl)-2-thienyl]ethanone |
CAS: |
33148-79-7 |
Synonyms: |
1-[4-(chloromethyl)thiophen-2-yl]ethanone |
IUPAC Name: | 1-[4-(chloromethyl)thiophen-2-yl]ethanone |
Description: | 1-[4-(Chloromethyl)-2-thienyl]ethanone (CAS# 33148-79-7) is a useful research chemical. |
Molecular Weight: | 174.65 |
Molecular Formula: | C7H7ClOS |
Canonical SMILES: | CC(=O)C1=CC(=CS1)CCl |
InChI: | InChI=1S/C7H7ClOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4H,3H2,1H3 |
InChI Key: | NCDGDGCGEPGKBS-UHFFFAOYSA-N |
Boiling Point: | 304.8 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.264 g/cm3 |
LogP: | 2.68950 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9906137 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9906137 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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