AG001SMN

162012-69-3 | 4(3H)-Quinazolinone, 7-fluoro-6-nitro-

AG001SMN

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CAS Number	162012-69-3
Catalog Number	AG001SMN(AGN-PC-0LWHFQ)
Chemical Name	4(3H)-Quinazolinone, 7-fluoro-6-nitro-
IUPAC Name	7-fluoro-6-nitro-3H-quinazolin-4-one
InChI	InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
InChI Key	VTUAEMSZEIGQRM-UHFFFAOYSA-N
MDL Number	MFCD08458874
Molecular Formula	C8H4FN3O3
Molecular Weight	209.1341
SMILES	O=C1N=CNC2=C1C=C([N+]([O-])=O)C(F)=C2
Synonyms	162012-69-3, 7-Fluoro-6-nitroquinazolin-4(3H)-one, 7-Fluoro-6-nitro-4-hydroxyquinazoline, 7-fluoro-6-nitroquinazolin-4-ol, 7-fluoro-6-nitro-3,4-dihydroquinazolin-4-one, 7-fluoro-6-nitro-1H-quinazolin-4-one, 7-Fluoro-6-nitro-4-hydroxy-quinazoline, 7-Fluoro-6-Nitro-4(H)-Quinazoline, 4(1H)-QUINAZOLINONE, 7-FLUORO-6-NITRO-, 7-fluoro-6-nitroquinazolin-4(1H)-one, 7-fluoro-4-hydroxy-6-nitroquinazoline, 7-Fluoro-6-, AC1OEVN8, AC1Q1WZ7, SCHEMBL25844, C8H4FN3O3, KSC174G8D, CTK0H4381, CTK5I2868, VTUAEMSZEIGQRM-UHFFFAOYSA-, DTXSID10427688, VTUAEMSZEIGQRM-UHFFFAOYSA-N, CS-B0788, ZINC3888591, AN-081, ANW-49804, MFCD08458874, SBB078284, AKOS000119293, AKOS009079807, AKOS025213097, CF-1284, GS-4123, MB05113, MCULE-2103799376, NE36248, PB14608, QC-4226, RP26493, 7-fluoro-6-nitroquinazoline-4(3H)-one, AC-22518, AJ-47320, AK-26711, BC213381, BR-26711, CJ-11191, SC-15668, SY027331, 4(3H)-Quinazolinone, 7-fluoro-6-nitro-, 7-fluoro-6-nitro-3-hydroquinazolin-4-one, AB0022619, AB0071586, AB1010256, RT-004248, 4CH-000984, A3595, AM20030090, F1091, FT-0660825, W3523, EN300-23573, KS-00000747, 7-fluoro-6-nitro-1,4-dihydroquinazolin-4-one, 7-FLUORO-6-NITRO-3H-QUINAZOLIN-4-ONE, C-8202, AB00739749-01, MFCD07841697 (97+%), 012F693, 012Q693, 7-fluoro-6-nitro-4-hydroxy-quinazoline, AldrichCPR, I14-9221, J-009884, J-519254, InChI=1/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13), ZINC03888591, ACN-031684, CID7063911,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.024g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.136g/mol
Monoisotopic Mass	209.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number