CAS
917882-66-7 Purity
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917882-66-7 Purity
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Methyl 3-(3-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
CAS
917889-24-8
Catalog Number
ACM917889248
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C16H11FN2O4.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 3-(3-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the molecular weight of the compound?
The molecular weight of the compound is 314.27 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H11FN2O4/c1-23-15(21)9-5-6-12-13(7-9)18-16(22)19(14(12)20)11-4-2-3-10(17)8-11/h2-8H,1H3,(H,18,22).
What is the InChIKey of the compound?
The InChIKey of the compound is LHEMVBPUNZSUSZ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)C3=CC(=CC=C3)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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917889-26-0 Purity
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917889-26-0 Purity
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