7-Bromoquinazoline-2,4(1H,3H)-dione

Catalog Number	ACM114703127
CAS	114703-12-7
Structure
Description	7-Bromoquinazoline-2,4(1H,3H)-Dione is a marine derived natural products found in Pyura sacciformis.
Synonyms	7-Bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione
IUPAC Name	7-Bromo-1H-quinazoline-2,4-dione
Molecular Weight	241.04
Canonical SMILES	C1=CC2=C(C=C1Br)NC(=O)NC2=O
InChI	InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChI Key	AQIDPSGSKHPDAY-UHFFFAOYSA-N
Melting Point	>300 °C
Purity	95%+
Density	1.752±0.06 g/cm³
Complexity	257
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	239.95344
Heavy Atom Count	13
Monoisotopic Mass	239.95344
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	58.2 Ų