587857-21-4
6-BROMO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
Name6-BROMO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
1Identification
【Name】
6-BROMO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
【CAS】
【MDL】
MFCD17013019
【English Synonyms】
【Formula】
C7 H3 Br N4 O
【MolWeight】
239.032
【Inchi】
InChI=1S/C7H3BrN4O/c8-6-3(1-9)4-5(12-6)7(13)11-2-10-4/h2,12H,(H,10,11,13)
【InChIKey】
InChIKey=JLNULHZQXBRVPR-UHFFFAOYSA-N
【SMILES】
c1[nH]c(=O)c2c(n1)c(c([nH]2)Br)C#N
【MOL File】
6-BROMO-4-OXO-4,5-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE.cml