3-Sulfamoylbenzoic Acid - CAS 636-76-0
Catalog: |
BB032238 |
Product Name: |
3-Sulfamoylbenzoic Acid |
CAS: |
636-76-0 |
Synonyms: |
3-sulfamoylbenzoic acid; 3-sulfamoylbenzoic acid |
IUPAC Name: | 3-sulfamoylbenzoic acid |
Description: | 3-Sulfamoylbenzoic Acid (CAS# 636-76-0) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)N)C(=O)O |
InChI: | InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) |
InChI Key: | NAETXYOXMDYNLE-UHFFFAOYSA-N |
Boiling Point: | 476.1 °C at 760 mmHg |
Density: | 1.536 g/cm3 |
MDL: | MFCD01122318 |
LogP: | 1.81330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021121649-A | Inkjet ink set, inkjet recording method, and inkjet recording device | 20200131 |
US-2021246324-A1 | Ink Jet Ink Set, Ink Jet Recording Method, And Ink Jet Recording Apparatus | 20200131 |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2021030556-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20190814 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.00957888 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 106 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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