AG003N5X

16064-14-5 | 6-Chloro-4-quinazolone

AG003N5X

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CAS Number	16064-14-5
Catalog Number	AG003N5X(AGN-PC-0JL5DP)
Chemical Name	6-Chloro-4-quinazolone
IUPAC Name	6-chloro-3H-quinazolin-4-one
InChI	InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChI Key	GOBVWEUSCRFCPB-UHFFFAOYSA-N
MDL Number	MFCD01686365
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
NSC Number	52062
SMILES	OC1=C2C=C(Cl)C=CC2=NC=N1
Synonyms	6-chloroquinazolin-4-ol, 16064-14-5, 6-Chloro-4-hydroxyquinazoline, 6-Chloro-3H-quinazolin-4-one, 6-chloroquinazolin-4(3H)-one, 6-Chloro-4-quinazolone, 6-Chloro-4-quinazolinone, 4(3H)-Quinazolinone, 6-chloro-, 6-chloro-1H-quinazolin-4-one, NSC 52062, 6-chloro-3,4-dihydroquinazolin-4-one, CHEMBL1949844, 4(1H)-Quinazolinone, 6-chloro-, 6-chloro-quinazolin-4(3H)-one, NSC52062, ACMC-209dlg, AC1L1YLG, 6-chloroquinazolin-4-one, AC1Q3KK3, 6-chlro-4-hydroxyquinazoline, KSC771S1L, 6-Chloro-4(3h)-quinazolinon, 6-chloroquinazolin-4(1H)-one, AC1Q79B2, SCHEMBL2191001, 6-Chloro-4(1H)-quinazolinone, Jsp003197, CTK4D0520, CTK6H1730, CTK6H1915, 4(3H)-Quinazolinone,6-chloro-, DTXSID40166957, 6-CHLORO-QUINAZOLIN-4-OL, GOBVWEUSCRFCPB-UHFFFAOYSA-N, ACN-S003132, BCP23057, CS-B1041, ANW-21890, ANW-48483, BBL000441, BDBM50365138, MFCD01686365, NSC-52062, SBB078189, STL102689, ZINC14982402, AKOS001093916, AKOS005146399, AKOS015917998, 6-CHLORO-4(3H)-QUINAZOLINONE, AC-2448, FS-3418, HP23033, MCULE-5196091576, RP24191, AJ-65657, AK-22087, AN-13961, BR-22087, CJ-14691, SC-24630, SY001233, AB0028247, AB1001177, DB-029267, LS-140449, ST2412365, TC-061842, 4CH-013311, AM20030079, FT-0621053, X0301, EN300-18467, B-3292, MFCD01686365 (97+%), 064C145, 686C365, I14-8688, J-518660, null, C8H5ClN2O, 6-Chloroquinazolin-4-ol 1g, C8-H5-Cl-N2-O, 6-chloro-3-hydroquinazolin-4-one, CID63206, ACN-032218, A3554,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number