4-Fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxylic Acid - CAS 929974-17-4
Catalog: |
BB056151 |
Product Name: |
4-Fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxylic Acid |
CAS: |
929974-17-4 |
Synonyms: |
4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxylic acid; 4-Fluoro-3-(phenoxymethyl)benzo[b]thiophene-2-carboxylic acid |
IUPAC Name: | 4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxylic acid |
Molecular Weight: | 302.32 |
Molecular Formula: | C16H11O3FS |
Canonical SMILES: | C1=CC=C(C=C1)OCC2=C(SC3=CC=CC(=C32)F)C(=O)O |
InChI: | InChI=1S/C16H11FO3S/c17-12-7-4-8-13-14(12)11(15(21-13)16(18)19)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19) |
InChI Key: | DEPBHAFMNBOKGD-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: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.04129354 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.04129354 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS