AC1Meuyq
Basic information
- CAS
6073-33-2- Standard SMILES
COC(=O)C1=NNC2C(=O)N(c3ccccc3Br)C(=O)C12- InChIKey
WDZNAZASSADKQS-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3O4
- Average molar mass
- 352.14 g/mol
- Monoisotopic mass
- 350.98547
Names & identifiers
- Preferred name
- AC1Meuyq
- IUPAC
- methyl 5-(2-bromophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Names & synonyms
AC1MEUYQ6073-33-2DTXSID50387237RefChem:314019DTXCID00338259methyl 5-(2-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylateCBMicro_031232MixCom6_001536STK710074AKOS000598545AKOS024288878CCG-109318
Show more names
methyl 5-(2-bromophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylateBIM-0031277.P001EU-0042062AB00102336-01AG-205/37066198SR-01000466712SR-01000466712-1
Database identifiers
- CAS
6073-33-2- PubChem CID
- 2884579
- DTXSID
DTXSID50387237
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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