| Identification | Back Directory | [Name]
4-[(3-methylbutyl)sulfanyl]-3-nitrobenzoic acid | [CAS]
747410-98-6 | [Synonyms]
Benzoic acid, 4-[(3-methylbutyl)thio]-3-nitro-
4-[(3-methylbutyl)sulfanyl]-3-nitrobenzoic acid | [Molecular Formula]
C12H15NO4S | [MOL File]
747410-98-6.mol | [Molecular Weight]
269.32 |
| Chemical Properties | Back Directory | [Boiling point ]
411.1±40.0 °C(Predicted) | [density ]
1.28±0.1 g/cm3(Predicted) | [pka]
3.50±0.10(Predicted) | [InChI]
InChI=1S/C12H15NO4S/c1-8(2)5-6-18-11-4-3-9(12(14)15)7-10(11)13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15) | [InChIKey]
LLEZGWLHZIUHMY-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(SCCC(C)C)C([N+]([O-])=O)=C1 |
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