4-(((4-Nitrophenyl)sulfonyl)methyl)benzoic acid
Basic information
- CAS
110046-41-8- Standard SMILES
O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
HYDMLWNPOVNFJI-UHFFFAOYSA-N- Molecular formula
- C14H11NO6S
- Average molar mass
- 321.31 g/mol
- Monoisotopic mass
- 321.03070824
Names & identifiers
- Preferred name
- 4-(((4-Nitrophenyl)sulfonyl)methyl)benzoic acid
- IUPAC
- 4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
Names & synonyms
NSC635199110046-41-84-(((4-Nitrophenyl)sulfonyl)methyl)benzoic acidBenzoic acid, 4-(((4-nitrophenyl)sulfonyl)methyl)-4-[((4-Nitrophenyl)sulfonyl)methyl]benzoic acid4-[(4-nitrophenyl)sulfonylmethyl]benzoic acidDTXSID80911468NSC-6351994-[(4-Nitrobenzene-1-sulfonyl)methyl]benzoic acid4-(((4-(Hydroxy(oxido)amino)phenyl)sulfonyl)methyl)benzoic acid
Database identifiers
- CAS
110046-41-8- PubChem CID
- 366573
- DTXSID
DTXSID80911468
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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