89450-94-2
N,N'-(6-CHLOROPYRIMIDIN-2,4-YLENE)DIANTHRANILIC ACID HYDROCHLORIDE
NameN,N'-(6-CHLOROPYRIMIDIN-2,4-YLENE)DIANTHRANILIC ACID HYDROCHLORIDE
pro_formulaC18 H13 Cl N4 O4 . Cl H
1Identification
【Name】
N,N'-(6-CHLOROPYRIMIDIN-2,4-YLENE)DIANTHRANILIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD01743157
【EnglishSynonyms】
【pro_formula】
C18 H13 Cl N4 O4 . Cl H
【pro_molWeight】
421.239
【Inchi】
InChI=1S/C18H13ClN4O4.ClH/c19-14-9-15(20-12-7-3-1-5-10(12)16(24)25)23-18(22-14)21-13-8-4-2-6-11(13)17(26)27;/h1-9H,(H,24,25)(H,26,27)(H2,20,21,22,23);1H
【InChIKey】
InChIKey=FZRGMCQPLDXMOO-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)O)Nc2cc(nc(n2)Nc3ccccc3C(=O)O)Cl.Cl
【MOL File】
N,N'-(6-CHLOROPYRIMI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:8
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N,N'-(6-CHLOROPYRIMIDIN-2,4-YLENE)DIANTHRANILIC ACID HYDROCHLORIDE.cml