3-Fluoro-5-methyl-benzoyl Chloride - CAS 886497-77-4
Catalog: |
BB056103 |
Product Name: |
3-Fluoro-5-methyl-benzoyl Chloride |
CAS: |
886497-77-4 |
Synonyms: |
3-Fluoro-5-methylbenzoyl chloride; 3-fluoro-5-methyl-benzoyl Chloride; 3-Fluoro-5-methylbenzoylchloride |
IUPAC Name: | 3-fluoro-5-methylbenzoyl chloride |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | CC1=CC(=CC(=C1)F)C(=O)Cl |
InChI: | InChI=1S/C8H6ClFO/c1-5-2-6(8(9)11)4-7(10)3-5/h2-4H,1H3 |
InChI Key: | IWZPKRATPLHNAH-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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