AG007H9X

331646-99-2 | 8-Bromoquinazoline-2,4-diol

AG007H9X

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CAS Number	331646-99-2
Catalog Number	AG007H9X(AGN-PC-0O8ZUC)
Chemical Name	8-Bromoquinazoline-2,4-diol
IUPAC Name	8-bromo-1H-quinazoline-2,4-dione
InChI	InChI=1S/C8H5BrN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChI Key	XAKSYDAOQDFHDD-UHFFFAOYSA-N
MDL Number	MFCD11499006
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	OC1=NC(O)=C2C=CC=C(Br)C2=N1
Synonyms	8-BROMOQUINAZOLINE-2,4-DIOL, 331646-99-2, 8-bromoquinazoline-2,4(1H,3H)-dione, 2,4-Quinazolinediol, 8-bromo-, 8-bromo-1H-quinazoline-2,4-dione, AK-39726, 8-BROMO-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE, PubChem24138, SCHEMBL558684, CTK4H0061, DTXSID50625747, XAKSYDAOQDFHDD-UHFFFAOYSA-N, ANW-46122, MFCD11499006, ZINC26894386, AKOS015834731, AKOS015904409, DS-1783, LS40882, MP-0936, KS-0000105X, AJ-82822, 8-BROMO-2,4-DIHYDROXY QUINOZALINE, AB0024256, AX8163106, DB-068763, TR-038739, 4CH-001153, CS-0046820, FT-0690111, ST24030014, W5486, A22286, X-2092, 4291701, 8-BROMOQUINAZOLINE-2,4-DIOL, I14-16978, C8H5BrN2O2, CB11387, 2,4(1H,3H)-Quinazolinedione, 8-bromo-, 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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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