4-Chloro-2-fluorophenylthiocyanate - CAS 1820666-86-1
Catalog: |
BB069394 |
Product Name: |
4-Chloro-2-fluorophenylthiocyanate |
CAS: |
1820666-86-1 |
Synonyms: |
4-Chloro-2-fluorophenylthiocyanate; (4-chloro-2-fluorophenyl) thiocyanate; 4-Chloro-2-fluoro-1-thiocyanatobenzene; [(4-CHLORO-2-FLUOROPHENYL)SULFANYL]FORMONITRILE |
IUPAC Name: | (4-chloro-2-fluorophenyl) thiocyanate |
Description: | 4-Chloro-2-fluorophenylthiocyanate |
Molecular Weight: | 187.62 |
Molecular Formula: | C7H3ClFNS |
Canonical SMILES: | C1=CC(=C(C=C1Cl)F)SC#N |
InChI: | InChI=1S/C7H3ClFNS/c8-5-1-2-7(11-4-10)6(9)3-5/h1-3H |
InChI Key: | RPYXTRBSPGXKGT-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.9658761 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.9658761 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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