443960-12-1
4-BR-BENZALDEHYDE (3,7-DIME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE
Name4-BR-BENZALDEHYDE (3,7-DIME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE
1Identification
【Name】
4-BR-BENZALDEHYDE (3,7-DIME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE
【CAS】
【MDL】
MFCD00497711
【English Synonyms】
【Formula】
C14 H13 Br N6 O2
【MolWeight】
377.201
【Inchi】
InChI=1S/C14H13BrN6O2/c1-20-10-11(21(2)14(23)18-12(10)22)17-13(20)19-16-7-8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,17,19)(H,18,22,23)/b16-7+
【InChIKey】
InChIKey=BYRVLKUQCNFEQU-FRKPEAEDSA-N
【SMILES】
Cn1c2c(=O)[nH]c(=O)n(c2nc1N/N=C/c3ccc(cc3)Br)C
【MOL File】
4-BR-BENZALDEHYDE (3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-BENZALDEHYDE (3,7-DIME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE.cml