Basic information
- CAS
646527-96-0- Standard SMILES
Clc1ccc(-c2[nH]ncc2-c2ccnc(Cl)n2)cc1- InChIKey
MSGWWZWPTRQMHS-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N4
- Average molar mass
- 291.13 g/mol
- Monoisotopic mass
- 290.0126017
Names & identifiers
- Preferred name
- 2-chloro-4-[3-(4-chloro-phenyl)-1H-pyrazol-4-yl]-pyrimidine
- IUPAC
- 2-chloro-4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine
Names & synonyms
646527-96-02-chloro-4-[3-(4-chloro-phenyl)-1H-pyrazol-4-yl]-pyrimidine2-chloro-4-[3-(4-chloro-phenyl)-1h-pyrazol-4-yl]pyrimidineSCHEMBL3247464DTXSID60469851MSGWWZWPTRQMHS-UHFFFAOYSA-N2-chloro-4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidineDB-330083
Database identifiers
- CAS
646527-96-0- PubChem CID
- 11637868
- DTXSID
DTXSID60469851- Nikkaji
- J2.714.598A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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