2-[(4-Fluorophenyl)methyl]-1,3-thiazole-5-carboxylic Acid - CAS 1094230-04-2
Catalog: |
BB072962 |
Product Name: |
2-[(4-Fluorophenyl)methyl]-1,3-thiazole-5-carboxylic Acid |
CAS: |
1094230-04-2 |
Synonyms: |
2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylicacid |
IUPAC Name: | 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid |
Molecular Weight: | 237.25 |
Molecular Formula: | C11H8NO2FS |
Canonical SMILES: | C1=CC(=CC=C1CC2=NC=C(S2)C(=O)O)F |
InChI: | InChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
InChI Key: | CRJSAVSSWSJYLR-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: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.02597783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.02597783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS