5-Fluoroorotic Acid Hydrate - CAS 207291-81-4

Catalog:	BB016229
Product Name:	5-Fluoroorotic Acid Hydrate
CAS:	207291-81-4
Synonyms:	5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate; 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate

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Computed Properties

IUPAC Name:	5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate
Description:	5-Fluoroorotic Acid Hydrate (CAS# 207291-81-4) is a useful research chemical.
Molecular Weight:	174.09
Molecular Formula:	C5H3FN2O4.xH2O
Canonical SMILES:	C1(=C(NC(=O)NC1=O)C(=O)O)F.O
InChI:	InChI=1S/C5H3FN2O4.H2O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);1H2
InChI Key:	LODRRYMGPWQCTR-UHFFFAOYSA-N
Boiling Point:	349.5 °C at 760 mmHg
MDL:	MFCD00150658
LogP:	-1.16380

Publication Number	Title	Priority Date
CN-111088275-A	Cloning method of DNA large fragment	20181023
WO-2020083083-A1	Method for cloning dna large fragment	20181023
AU-2016338785-A1	Protected DNA templates for gene modification and increased homologous recombination in cells and methods of use	20151012
CA-2999050-A1	Protected dna templates for gene modification and increased homologous recombination in cells and methods of use	20151012
EP-3362560-A1	Protected dna templates for gene modification and increased homologous recombination in cells and methods of use	20151012

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.01824943
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	192.01824943
Rotatable Bond Count:	1
Topological Polar Surface Area:	96.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0