Quinoline, 1,2,3,4-tetrahydro-7-nitro-, hydrogen sulfate
Basic information
- CAS
73987-44-7- Standard SMILES
O=S(=O)(O)O.O=[N+]([O-])c1ccc2c(c1)NCCC2- InChIKey
VBHCWROSOWPTFQ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O6S
- Average molar mass
- 276.27 g/mol
- Monoisotopic mass
- 276.04160728
Names & identifiers
- Preferred name
- Quinoline, 1,2,3,4-tetrahydro-7-nitro-, hydrogen sulfate
- IUPAC
- 7-nitro-1,2,3,4-tetrahydroquinoline;sulfuric acid
Names & synonyms
73987-44-7NSC 74531Quinoline, 1,2,3,4-tetrahydro-7-nitro-, hydrogen sulfate7-Nitro-1,2,3,4-tetrahydroquinoline hydrogen sulfateQuinoline, 1,2,3,4-tetrahydro-7-nitro-, sulfate (1:1)DTXSID10224775RefChem:378475DTXCID40147266Quinoline, 1,2,3,4-tetrahydro-7-nitro-, sulfate (1:1) (9CI)7-Nitro-1,2,3,4-tetrahydroquinoline sulfateNSC74531SCHEMBL28330425
Show more names
NSC-74531WLN: T66 BMT&J INW &WSQQQuinoline,2,3,4-tetrahydro-7-nitro-, hydrogen sulfateQuinoline,2,3,4-tetrahydro-7-nitro-, sulfate (1:1)Sulfuric acid--7-nitro-1,2,3,4-tetrahydroquinoline (1/1)
Database identifiers
- CAS
73987-44-7- PubChem CID
- 252512
- DTXSID
DTXSID10224775
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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