AG003MWW

99768-67-9 | 5-nitroquinazolin-4-ol

AG003MWW

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CAS Number	99768-67-9
Catalog Number	AG003MWW(AGN-PC-0WABKF)
Chemical Name	5-nitroquinazolin-4-ol
IUPAC Name	5-nitro-3H-quinazolin-4-one
InChI	InChI=1S/C8H5N3O3/c12-8-7-5(9-4-10-8)2-1-3-6(7)11(13)14/h1-4H,(H,9,10,12)
InChI Key	AGOKBMXSQJZEKF-UHFFFAOYSA-N
MDL Number	MFCD12198902
Molecular Formula	C8H5N3O3
Molecular Weight	191.1436
SMILES	OC1=C2C([N+]([O-])=O)=CC=CC2=NC=N1
Synonyms	5-NITRO-4-HYDROXYQUINAZOLINE, 99768-67-9, 5-Nitroquinazolin-4-ol, 5-nitro-3H-quinazolin-4-one, 5-nitro-1H-quinazolin-4-one, 5-Nitroquinazolin-4(1H)-one, CTK5I0672, DTXSID10693841, 6999AC, KM3516, MFCD12198902, ZINC42684245, AKOS015897195, AN-9265, TRA0058700, AS-31554, SY004740, AB1000205, AJ-104479, TC-307929, KS-00000997, MFCD12198902 (96%), I08-0482, Z2732088569, null, C8H5N3O3, 19715-19-6,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.033g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.146g/mol
Monoisotopic Mass	191.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number