AG004GCP

88145-89-5 | 6-Bromo-2,4(1H,3H)-quinazolinedione

AG004GCP

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CAS Number	88145-89-5
Catalog Number	AG004GCP(AGN-PC-0JTVKB)
Chemical Name	6-Bromo-2,4(1H,3H)-quinazolinedione
IUPAC Name	6-bromo-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChI Key	JZDVFUAHGLJVQG-UHFFFAOYSA-N
MDL Number	MFCD00462868
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	BrC2=CC=C1NC(NC(C1=C2)=O)=O
Synonyms	88145-89-5, 6-Bromoquinazoline-2,4(1H,3H)-dione, 6-Bromo-2,4(1H,3H)-quinazolinedione, 6-bromo-1H-quinazoline-2,4-dione, 6-bromoquinazoline-2,4-diol, 6-Bromoquinazoline-2,4-dione, 2,4(1H,3H)-Quinazolinedione, 6-bromo-, JZDVFUAHGLJVQG-UHFFFAOYSA-N, MFCD00462868, 6-bromo-1,3-dihydroquinazoline-2,4-dione, 6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione, bromoquinazolinedione, PubChem20961, ACMC-209qre, AC1LDFO7, KSC495M0P, SCHEMBL182445, 6-bromo-quinazoline-2,4-diol, CTK3J5607, CTK5I8094, KS-00000FDF, DTXSID50347078, ABLOCK AB-11-6087, ZINC341758, BCP23052, ANW-38952, SBB099365, AKOS005072759, AKOS005264991, CB-3441, CS-W001027, FA-0247, LS40204, MCULE-1461334024, QC-4164, RP13774, VZ30658, AC-23560, AJ-19947, AK-27993, AN-35359, BC004614, BR-27993, CJ-02997, SC-45705, SY013581, ZB010951, 6-Bromo-(1H,3H)-quinazoline-2,4-dione, 6-Bromo-2,4(1H,3H)-quinazolinedione #, AB0008749, DB-007126, TR-038738, AM20061023, FT-0084763, FT-0648975, Quinazoline-2,4(1H,3H)-dione, 6-bromo-, MFCD00462868 (95%), 6-BROM0-1H,3H-QUINAZOLINE-2,4-DIONE, A-3525, 145B895, I08-720, 6-bromo-2,4(1h,3H)-quinazolinedione, AldrichCPR, J-518468, BRD-K63015276-001-01-2, F1962-0242, C8H5BrN2O2, CID617686, ZINC00341758, 6-BROMO-1H,3H-QUINAZOLINE-2,4-DIONE, A10487, 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	239.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.044g/mol
Monoisotopic Mass	239.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number