CAS
905716-27-0 Purity
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905716-27-0 Purity
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1,3-Dihydro-imidazol-2-one-5-(4-trifluoromethyl)phenyl-4-carboxylic acid
CAS
905807-52-5
Catalog Number
ACM905807525
Category
Other Products
Molecular Weight
272.18
Molecular Formula
C11H7F3N2O3
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Specification
Synonyms
2-OXO-4-(4-TRIFLUOROMETHYLPHENYL)-IMIDAZOLE-5-CARBOXYLIC ACID;1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(4-TRIFLUOROMETHYL)PHENYL-4-CARBOXYLIC ACID;1H-IMIDAZOLE-4-CARBOXYLIC ACID,2,3-DIHYDRO-2-OXO-5-[4-(TRIFLUOROMETHYL)PHENYL]-
What is the molecular formula of the compound?
The molecular formula of the compound is C11H7F3N2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 272.18 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydroimidazole-4-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-3-1-5(2-4-6)7-8(9(17)18)16-10(19)15-7/h1-4H,(H,17,18)(H2,15,16,19).
What is the InChIKey of the compound?
The InChIKey of the compound is NSFCXGZBPKYVLC-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1=CC(=CC=C1C2=C(NC(=O)N2)C(=O)O)C(F)(F)F.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.4.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 78.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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