Aglhlbkqmjdzfp-uhfffaoysa-
Basic information
- CAS
81940-14-9- Standard SMILES
Brc1ccc2c(ccc3c2nnc2ncnn23)c1- InChIKey
AGLHLBKQMJDZFP-UHFFFAOYSA-N- Molecular formula
- C12H6BrN5
- Average molar mass
- 300.11 g/mol
- Monoisotopic mass
- 298.98066
Names & identifiers
- Preferred name
- Aglhlbkqmjdzfp-uhfffaoysa-
- IUPAC
- 5-bromo-11,12,14,16,17-pentazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
Names & synonyms
NSC37181081940-14-98-Bromonaphtho[2,1-e][1,2,4]triazolo[5,1-c][1,2,4]triazineAGLHLBKQMJDZFP-UHFFFAOYSA-DTXSID50321196NSC-371810InChI=1/C12H6BrN5/c13-8-2-3-9-7(5-8)1-4-10-11(9)16-17-12-14-6-15-18(10)12/h1-6H
Database identifiers
- CAS
81940-14-9- PubChem CID
- 340735
- DTXSID
DTXSID50321196
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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