7-Chloroquinazoline-2,4(1H,3H)-dione - CAS 13165-35-0

Catalog:	BB007461
Product Name:	7-Chloroquinazoline-2,4(1H,3H)-dione
CAS:	13165-35-0
Synonyms:	7-chloro-1H-quinazoline-2,4-dione; 7-chloro-1H-quinazoline-2,4-dione

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Computed Properties

IUPAC Name:	7-chloro-1H-quinazoline-2,4-dione
Description:	7-Chloroquinazoline-2,4(1H,3H)-dione (CAS# 13165-35-0) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=CC2=C(C=C1Cl)NC(=O)NC2=O
InChI:	InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChI Key:	QEXAYZARVWHJJA-UHFFFAOYSA-N
Density:	1.475 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00563867
LogP:	1.69440

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
CN-113166078-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	20181210
JP-2017514918-A	Pharmacologically active quinazolinedione derivatives	20140509
EP-3130597-A1	Oligonucleotide having non-natural nucleotide at 5'-terminal thereof	20140303
JP-6586078-B2	Oligonucleotides having unnatural nucleotides at the 5 'end	20140303

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Related Functional Groups

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[67092-21-1]
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[19815-16-8]
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[79754-04-4]
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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:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0039551
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0039551
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4