AG002JVI

20872-93-9 | 4(3H)​-​Quinazolinone, 7-​nitro-

AG002JVI

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CAS Number	20872-93-9
Catalog Number	AG002JVI(AGN-PC-0JM9JQ)
Chemical Name	4(3H)​-​Quinazolinone, 7-​nitro-
IUPAC Name	7-nitro-3H-quinazolin-4-one
InChI	InChI=1S/C8H5N3O3/c12-8-6-2-1-5(11(13)14)3-7(6)9-4-10-8/h1-4H,(H,9,10,12)
InChI Key	LPCJURLBTXOJHS-UHFFFAOYSA-N
MDL Number	MFCD00089998
Molecular Formula	C8H5N3O3
Molecular Weight	191.1436
NSC Number	338201
SMILES	O=c1c2c(cc(cc2)N(=O)=O)[nH]cn1
Synonyms	20872-93-9, 7-NITROQUINAZOLIN-4(3H)-ONE, 7-NITROQUINAZOLIN-4-OL, 7-Nitro-3H-quinazolin-4-one, 7-Nitro-4-hydroxyquinonazoline, 7-NITRO-4(3H)-QUINAZOLINONE, 7-nitro-1H-quinazolin-4-one, 4(1H)-Quinazolinone, 7-nitro-, 4-HYDROXY-7-NITROQUINAZOLINE, 4(3H)-Quinazolinone, 7-nitro-, 7-nitro-3,4-dihydroquinazolin-4-one, AF-956/20094050, NSC338201, 7-nitro-4-quinazolone, 7-Nitro-4-quinazolinol, 7-nitroquinazolin-4-one, AC1L7EHG, 7-nitro-4-quinazolineone, 7-nitroquinazoline-4-one, AC1Q1Y4I, 4-hydroxy-7-nitro-quinazoline, 7-Nitroquinazolin-4(1H)-one, QUI027, SCHEMBL1438865, CHEMBL1949852, CTK5I3622, CTK5I3625, 7-nitro-3-hydroquinazolin-4-one, DTXSID80318958, LPCJURLBTXOJHS-UHFFFAOYSA-N, ALBB-023175, KS-00000EO8, ZINC5581430, 6054AH, 7-nitro-3,4-dihydroquinazolin4-one, AR2798, MFCD00089998, SBB091242, AKOS001050311, AKOS006223735, AKOS025117086, 7-Nitro-3,4-dihydroquinazoline-4-one, DS-7370, MCULE-5216151033, NSC-338201, VZ30973, AJ-54340, AK161711, BC658020, CC-23258, SC-06038, SY025974, AB0081237, 4CH-000754, CS-0043087, FT-0621471, ST45016693, A18438, N60012, X-2989, Z-3691, MFCD00089998 (95+%), 872N939, C-08225, W-201826, Z1270387258, C8H5N3O3, CID334011, 7-Nitro-4(3H)-quinazolinone, 95+%, 2-Methoxy-5-nitro-3-(trifluoromethyl)pyridine,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number