2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Basic information
- CAS
326919-51-1- Standard SMILES
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1c(F)cccc1Cl- InChIKey
NMQCHOZUYKHYHV-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O2
- Average molar mass
- 318.73 g/mol
- Monoisotopic mass
- 318.0571335
Names & identifiers
- Preferred name
- 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
- English name
- 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Molecular formula
- C16H12ClFN2O2
- Molecular weight
- 318.73
Names & synonyms
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile326919-51-12-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrileHMS1678I16STK827872AKOS000573529AKOS016348355ST50300699AE-848/10130036SR-01000408462SR-01000408462-12-amino-4-(6-chloro-2-fluorophenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carbonit rile
Show more names
2-AMINO-4-(2-CL-6-F-PHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMENE-3-CARBONITRILE4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-
Database identifiers
- CAS
326919-51-1- PubChem CID
- 2909428
- EC Number
- 151-410-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 619
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Related reactions
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Compound notes
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