3-(Sulfamoylmethyl)benzoic Acid - CAS 1099184-83-4
Catalog: |
BB072663 |
Product Name: |
3-(Sulfamoylmethyl)benzoic Acid |
CAS: |
1099184-83-4 |
Synonyms: |
3-(sulfamoylmethyl)benzoic acid; 3-(sulfamoylmethyl)benzoicacid |
IUPAC Name: | 3-(sulfamoylmethyl)benzoic acid |
Molecular Weight: | 215.22 |
Molecular Formula: | C8H9NO4S |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)CS(=O)(=O)N |
InChI: | InChI=1S/C8H9NO4S/c9-14(12,13)5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13) |
InChI Key: | LNLWKMAZBPYIJG-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: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.02522894 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.02522894 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 106Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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