4-Chloro-2-hydroxy-5-sulfamoylbenzoic acid - CAS 14556-98-0
Catalog: |
BB009972 |
Product Name: |
4-Chloro-2-hydroxy-5-sulfamoylbenzoic acid |
CAS: |
14556-98-0 |
Synonyms: |
4-chloro-2-hydroxy-5-sulfamoylbenzoic acid |
IUPAC Name: | 4-chloro-2-hydroxy-5-sulfamoylbenzoic acid |
Description: | Xipamide intermediate. |
Molecular Weight: | 251.64 |
Molecular Formula: | C7H6ClNO5S |
Canonical SMILES: | C1=C(C(=CC(=C1S(=O)(=O)N)Cl)O)C(=O)O |
InChI: | InChI=1S/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14) |
InChI Key: | FHNZKRYMWHCXME-UHFFFAOYSA-N |
Boiling Point: | 528.4 °C at 760 mmHg |
Density: | 1.78 g/cm3 |
MDL: | MFCD00988990 |
LogP: | 2.17230 |
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 |
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Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.9655212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.9655212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 126 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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