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3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid

3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid - CAS 1105193-80-3

Name: 3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB065368
Product Name:	3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid
CAS:	1105193-80-3
Synonyms:	3-(4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid; 3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
Molecular Weight:	250.18
Molecular Formula:	C11H7FN2O4
Canonical SMILES:	C1=CC(=CC=C1N2C(=O)C(=CNC2=O)C(=O)O)F
InChI:	InChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(15)8(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17)
InChI Key:	JTZSVYCKAYMNCT-UHFFFAOYSA-N

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Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.03898487
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	250.03898487
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2