([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid - CAS 851879-33-9
Catalog: |
BB064741 |
Product Name: |
([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid |
CAS: |
851879-33-9 |
Synonyms: |
([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid; 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic Acid; {[1-(3-fluorophenyl)-1H-imidazol-2-yl]thio}acetic acid; 2-{[1-(3-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid; [[1-(3-FLUOROPHENYL)-1H-IMIDAZOL-2-YL]THIO]ACETIC ACID |
IUPAC Name: | 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid |
Description: | ([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid |
Molecular Weight: | 252.27 |
Molecular Formula: | C11H9FN2O2S |
Canonical SMILES: | C1=CC(=CC(=C1)F)N2C=CN=C2SCC(=O)O |
InChI: | InChI=1S/C11H9FN2O2S/c12-8-2-1-3-9(6-8)14-5-4-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16) |
InChI Key: | YGMHOOWRUWSDAP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.03687687 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.03687687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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