5-Chloro-3-(thiophen-3-yl)benzoic acid - CAS 1261926-16-2
Catalog: |
BB069693 |
Product Name: |
5-Chloro-3-(thiophen-3-yl)benzoic acid |
CAS: |
1261926-16-2 |
Synonyms: |
5-CHLORO-3-(THIOPHEN-3-YL)BENZOIC ACID; 3-chloro-5-thiophen-3-ylbenzoic acid; 3-Chloro-5-(thiophen-3-yl)benzoic acid |
IUPAC Name: | 3-chloro-5-thiophen-3-ylbenzoic acid |
Description: | 5-Chloro-3-(thiophen-3-yl)benzoic acid |
Molecular Weight: | 238.69 |
Molecular Formula: | C11H7ClO2S |
Canonical SMILES: | C1=CSC=C1C2=CC(=CC(=C2)Cl)C(=O)O |
InChI: | InChI=1S/C11H7ClO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-10)11(13)14/h1-6H,(H,13,14) |
InChI Key: | DBEVKQVIXLICPW-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9855283 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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