Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 4.7 |
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| Canonical Smiles | CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3CCN(C3)C(=O)C4=C(C=CC(=C4)Cl)F)N5CC(C5)(C6CC6)F |
|---|---|
| IUPAC Name | (5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxypyrrolidin-1-yl]methanone |
| InChIKey | SLUHYAXFRJQTGB-KRWDZBQOSA-N |
| INCHI | 1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1 |
| Isomeric SMILES | CC1=CC(=NN1)NC2=CC(=NC(=N2)O[C@H]3CCN(C3)C(=O)C4=C(C=CC(=C4)Cl)F)N5CC(C5)(C6CC6)F |
| PubChem CID | 16731225 |
| Molecular Weight | 530 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 3-halobenzoic acids and derivatives |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Dialkylarylamines N-acylpyrrolidines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Pyrazoles Tertiary carboxylic acid amides Vinylogous halides Heteroaromatic compounds Azetidines Amino acids and derivatives Azacyclic compounds Secondary amines Organic oxides Organochlorides Organofluorides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - N-acylpyrrolidine - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Pyrazole - Pyrrolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary amine - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring. |
| External Descriptors | Not available |
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