4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid - CAS 59210-65-0
Catalog: |
BB069866 |
Product Name: |
4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid |
CAS: |
59210-65-0 |
Synonyms: |
4-chloro-3-(morpholine-4-sulfonyl)benzoic acid; 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid; 4-Chloro-3-(morpholine-4-sulfonyl)-benzoic acid; 4-chloro-3-(morpholin-4-ylsulfonyl)benzoic acid |
IUPAC Name: | 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid |
Description: | 4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid |
Molecular Weight: | 305.74 |
Molecular Formula: | C11H12ClNO5S |
Canonical SMILES: | C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl |
InChI: | InChI=1S/C11H12ClNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
InChI Key: | FHALQCKQZFYPGB-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: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.0124714 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.0124714 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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