53438-98-5
1-(2-BROMOETHYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Name1-(2-BROMOETHYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
1Identification
【Name】
1-(2-BROMOETHYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
【CAS】
【MDL】
MFCD22376557
【English Synonyms】
【Formula】
C7 H9 Br N2 O2
【MolWeight】
233.064
【Inchi】
InChI=1S/C7H9BrN2O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,2-3H2,1H3,(H,9,11,12)
【InChIKey】
InChIKey=MDPOWKDHWLSZEH-UHFFFAOYSA-N
【SMILES】
Cc1cn(c(=O)[nH]c1=O)CCBr
【MOL File】
1-(2-BROMOETHYL)-5-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-BROMOETHYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE.cml