4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid
Basic information
- CAS
110046-46-3- Standard SMILES
Nc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1- InChIKey
XGZQLGBCPUKLKN-UHFFFAOYSA-N- Molecular formula
- C14H12N2O5S
- Average molar mass
- 320.32 g/mol
- Monoisotopic mass
- 320.04669266
Names & identifiers
- Preferred name
- 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid
- IUPAC
- 4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoic acid
Names & synonyms
110046-46-3NSC6352234-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acidBenzoic acid, 4-(((4-aminophenyl)sulfinyl)methyl)-3-nitro-4-[[(4-Aminophenyl)sulfinyl]methyl]-3-nitrobenzoic acidDTXSID10911471NSC-6352234-[(4-aminophenyl)sulfinylmethyl]-3-nitro-benzoic acid4-[(4-Aminobenzene-1-sulfinyl)methyl]-3-nitrobenzoic acid4-(((4-Aminophenyl)sulfinyl)methyl)-3-(hydroxy(oxido)amino)benzoic acid
Database identifiers
- CAS
110046-46-3- PubChem CID
- 366597
- DTXSID
DTXSID10911471
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…