1-[2-Methoxy-4-(tetrazol-1-yl)phenyl]tetrazole
Basic information
- CAS
524040-13-9- Standard SMILES
COc1cc(-n2cnnn2)ccc1-n1cnnn1- InChIKey
LQJRCWYYEWNCQT-UHFFFAOYSA-N- Molecular formula
- C9H8N8O
- Average molar mass
- 244.21 g/mol
- Monoisotopic mass
- 244.08210691
Names & identifiers
- Preferred name
- 1-[2-Methoxy-4-(tetrazol-1-yl)phenyl]tetrazole
- IUPAC
- 1-[2-methoxy-4-(tetrazol-1-yl)phenyl]tetrazole
Names & synonyms
1-[2-methoxy-4-(tetrazol-1-yl)phenyl]tetrazole1,1'-(2-Methoxy-1,4-phenylene)bis(1H-tetrazole)TimTec1_0059761,1'-(2-methoxybenzene-1,4-diyl)bis(1H-tetrazole)DTXSID601240126HMS1550P14HTS01519STK769281AKOS001871206CCG-143755524040-13-9ST4074702
Show more names
2-methoxy-1,4-di(1,2,3,4-tetraazolyl)benzeneSR-01000103859SR-01000103859-11H-Tetrazole, 1,1a(2)-(2-methoxy-1,4-phenylene)bis-
Database identifiers
- CAS
524040-13-9- PubChem CID
- 778174
- DTXSID
DTXSID601240126
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…