52617-71-7
4-CHLORO-2-METHYL-6-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDINE
Name4-CHLORO-2-METHYL-6-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDINE
1Identification
【Name】
4-CHLORO-2-METHYL-6-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDINE
【CAS】
【MDL】
MFCD02069843
【English Synonyms】
【Formula】
C13 H10 Cl N3
【MolWeight】
243.696
【Inchi】
InChI=1S/C13H10ClN3/c1-8-15-11-7-10(9-5-3-2-4-6-9)17-12(11)13(14)16-8/h2-7,17H,1H3
【InChIKey】
InChIKey=VUPUFJJKPBOWEJ-UHFFFAOYSA-N
【SMILES】
Cc1nc2cc([nH]c2c(n1)Cl)c3ccccc3
【MOL File】
4-CHLORO-2-METHYL-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-2-METHYL-6-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDINE.cml