2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
Basic information
- CAS
34771-66-9- Standard SMILES
Cc1nn(-c2ccc3cc(-n4cc(Cl)cn4)c(=O)oc3c2)nc1-c1ccccc1- InChIKey
XPCRQHRLGGKEPE-UHFFFAOYSA-N- Molecular formula
- C21H14ClN5O2
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 403.0836024
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
- IUPAC
- 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one
- English name
- 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone
- Molecular formula
- C21H14ClN5O2
- Molecular weight
- 403.82
Names & synonyms
2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-DTXSID7067871RefChem:484136DTXCID603890234771-66-93-(4-Chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)coumarin35867-91-53-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-1-benzopyran-2-oneEINECS 252-206-73-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one
Show more names
NIOSH/DJ2979180SCHEMBL11420409XPCRQHRLGGKEPE-UHFFFAOYSA-N3-(4-Chloro-1-pyrazolyl)-7-(5-methyl-4-phenyl-vic-triazol-2-yl)coumarin2H-1-Benzopyran-2-one, 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)-DB-240619DJ29791800NS00055224
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- EPA Substance Registry System
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)- (34771-66-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-: INACTIVE
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