Basic information
- CAS
54196-61-1- Standard SMILES
Cc1nncn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl- InChIKey
MPEDDLDWEDSQOT-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2N3O
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.02791733
Overview
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Names & identifiers
- Preferred name
- (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone
- IUPAC
- [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone
- English name
- 2'',5-DICHLOOR-2-(3-METHYL-4H-1,2,4-TRIAZOOL-4-YL)BENZOFENON
- Molecular formula
- C16H11Cl2N3O
- Molecular weight
- 332.18404
Names & synonyms
[5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)methanone(5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanoneRefChem:4039202',5-Dichloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)benzophenone54196-61-1CHEMBL5492764SCHEMBL11824533DTXSID80347844DS-0159912',5-dichloro-2-(3-methyl-4H-1,2,4-triazol-4 -yl)benzophenone2',5-Dichloro-2-[3-methyl-(4H)-1,2,4-triazol-4-yl]benzophenone[5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)methanone #
Show more names
2'',5-DICHLOOR-2-(3-METHYL-4H-1,2,4-TRIAZOOL-4-YL)BENZOFENONMethanone, [5-chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
4 records
Compound notes
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