4-Fluoro-3-((4-methoxyphenyl)sulfamoyl)benzoic acid
Basic information
- CAS
314043-67-9- Standard SMILES
COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1- InChIKey
JEMRLDDKWRHQCQ-UHFFFAOYSA-N- Molecular formula
- C14H12FNO5S
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.04202182
Names & identifiers
- Preferred name
- 4-Fluoro-3-((4-methoxyphenyl)sulfamoyl)benzoic acid
- IUPAC
- 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
Names & synonyms
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic Acid314043-67-94-Fluoro-3-((4-methoxyphenyl)sulfamoyl)benzoic acidRefChem:523145997-888-34-Fluoro-3-(4-methoxy-phenylsulfamoyl)-benzoic acidCambridge id 6638295Oprea1_683411PMA04367AKOS000114766CS-0218246EN300-00452
Show more names
G34296AB00113575-01SR-010002399604-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoicAcidSR-01000239960-1Z56794395
Database identifiers
- CAS
314043-67-9- PubChem CID
- 777280
- EC Number
- 997-888-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 484
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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