AG001UL2

1640-60-4 | 2,4(1H,3H)-Quinazolinedione, 6-chloro-

AG001UL2

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CAS Number	1640-60-4
Catalog Number	AG001UL2(AGN-PC-0JOO6O)
Chemical Name	2,4(1H,3H)-Quinazolinedione, 6-chloro-
IUPAC Name	6-chloro-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChI Key	IGWJEWGQUFOVDP-UHFFFAOYSA-N
MDL Number	MFCD00030678
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
NSC Number	194820
SMILES	O=C(N1)NC2=C(C=C(Cl)C=C2)C1=O
Synonyms	6-Chloroquinazoline-2,4(1H,3H)-dione, 1640-60-4, 6-CHLOROQUINAZOLINE-2,4-DIONE, 6-chloroquinazoline-2,4-diol, 6-chloro-1H-quinazoline-2,4-dione, 6-chloro-1,2,3,4-tetrahydroquinazoline-2,4-dione, 6-Chloro-quinazoline-2,4-diol, IGWJEWGQUFOVDP-UHFFFAOYSA-N, NSC194820, ACMC-1C14R, SCHEMBL404118, AC1L73Z7, SCHEMBL13009776, CTK0I3371, IGWJEWGQUFOVDP-UHFFFAOYSA-, DTXSID60307724, ACT09078, BCP23047, CS-D0596, KS-00000E1P, ZINC1733357, ANW-22071, MFCD00030678, AKOS006345687, AKOS024207617, 6-chloranyl-1H-quinazoline-2,4-dione, 6-Chloro-2,4[1H,3H]quinazolinedione, CC-1718, NSC-194820, RP25471, 6-Chloro-2,4(1H,3H)-quinazolinedione, AJ-31279, AK-32474, BR-32474, CJ-06957, DS-11548, SC-45707, SY042887, 6-Chloro-(1h,3h)-Quinazolin-2,4-Dione, 2,4(1H,3H)-Quinazolinedione, 6-chloro-, AB0022662, AB1003914, ST2412366, 4CH-008773, 6-chloro-1,3-dihydroquinazoline-2,4-dione, FT-0660506, W3575, MFCD00030678 (95%), B-3791, A810534, J-518662, 6-Chloroquinazoline-2,4-dione; 6-chloroquinazoline-2,4-diol, InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13), C8H5ClN2O2, CID303998, A3643, N/A,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.59g/mol
Monoisotopic Mass	196.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number