Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-
Basic information
- CAS
103439-95-8- Standard SMILES
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1- InChIKey
HRMGRKAHDIORQN-UHFFFAOYSA-N- Molecular formula
- C14H11NO6S
- Average molar mass
- 321.31 g/mol
- Monoisotopic mass
- 321.03070824
Names & identifiers
- Preferred name
- Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-
- IUPAC
- 4-(benzenesulfonylmethyl)-3-nitrobenzoic acid
Names & synonyms
103439-95-8NSC635206Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-4-((Phenylsulfonyl)methyl)-3-nitrobenzoic acid4-[(Phenylsulfonyl)methyl]-3-nitrobenzoic acidDTXSID60908417NSC-6352064-(benzenesulfonylmethyl)-3-nitro-benzoic acid4-[(BENZENESULFONYL)METHYL]-3-NITROBENZOIC ACID3-(Hydroxy(oxido)amino)-4-((phenylsulfonyl)methyl)benzoic acid
Database identifiers
- CAS
103439-95-8- PubChem CID
- 366580
- DTXSID
DTXSID60908417
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
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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