AG003N8Y

16064-08-7 | 6-Iodoquinazolin-4-one

AG003N8Y

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CAS Number	16064-08-7
Catalog Number	AG003N8Y(AGN-PC-0JW2O6)
Chemical Name	6-Iodoquinazolin-4-one
IUPAC Name	6-iodo-3H-quinazolin-4-one
InChI	InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChI Key	PUGXMZKDRVGIHC-UHFFFAOYSA-N
MDL Number	MFCD05662719
Molecular Formula	C8H5IN2O
Molecular Weight	272.0426
SMILES	O=C1N=CNC2=C1C=C(I)C=C2
Synonyms	6-Iodoquinazolin-4-one, 16064-08-7, 6-iodoquinazolin-4-ol, 6-iodoquinazolin-4(3h)-one, 6-Iodo-3H-quinazolin-4-one, 4-Hydroxy-6-iodoquinazoline, 6-Iodo-4-hydroxyquinazoline, 6-iodo-1H-quinazolin-4-one, 6-Iodo-4-quinazolinol, 6-Iodo-3,4-dihydroquinazolin-4-one, 6-iodo-4(3H)-quinazolinone, 6-Iodo-4-quinazolinone, 6-Iodo-quinazolin-4-ol, 6-iodoquinazolin-4(1H)-one, 6-Iodo-4(1H)-quinazolinone, 4(3H)-Quinazolinone,6-iodo-, CHEMBL1949845, 6-iodo-3-hydroquinazolin-4-one, 4(1H)-Quinazolinone, 6-iodo-, 4(3H)-QUINAZOLINONE, 6-IODO-, 6-iodo4-quinazolinone, 6-Iodo-4-quinazolone, PubChem12365, ACMC-209dle, 6-iodoquinazoline-4-ol, AC1LG1PU, AC1Q4PN3, CBDivE_001584, KSC530K1P, SCHEMBL216175, 6-Iodoquinazoline-4(1H)-one, AC1Q79B3, Jsp003196, CTK4D0517, DTXSID30354109, PUGXMZKDRVGIHC-UHFFFAOYSA-N, ALBB-024234, BCP24733, KS-000009DA, ZINC5687386, AN-486, ANW-21888, ANW-53115, BDBM50365139, CI-238, MFCD00195324, SBB005376, AKOS000540866, AKOS015888615, AKOS025243109, AC-1002, LS20468, MCULE-2416273642, NE11371, PB18488, SS-4903, TRA0098319, AJ-54568, AK-41904, BAS 00012434, BC222718, CJ-12686, SC-22505, ST057468, SY028895, AB0009930, AB0089202, AB0089203, DB-002078, TC-110633, AM20090791, EU-0066806, FT-0655953, I0832, EN300-76889, Q-1504, MFCD00195324 (97+%), 064I087, AG-205/05210062, SR-01000389718, I01-1234, SR-01000389718-1, Z1259040934, Lapatinib intermediate E, C8H5IN2O, AR-1H1930, CID763741, ZINC00237966, ACN-028645, C3333, N/A, 16121-05-4, 98556-31-1,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.945g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.045g/mol
Monoisotopic Mass	271.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number