543739-81-7
ISOQUINOLINE, 4-(3-BROMOPHENYL)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-, HYDROCHLORIDE (1:1)
NameISOQUINOLINE, 4-(3-BROMOPHENYL)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-, HYDROCHLORIDE (1:1)
FormulaC16 H14 Br Cl2 N . Cl H
1Identification
【Name】
ISOQUINOLINE, 4-(3-BROMOPHENYL)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-, HYDROCHLORIDE (1:1)
【CAS】
【MDL】
MFCD22683910
【English Synonyms】
【Formula】
C16 H14 Br Cl2 N . Cl H
【MolWeight】
407.565
【Inchi】
InChI=1S/C16H14BrCl2N.ClH/c1-20-8-14(10-3-2-4-11(17)5-10)13-6-12(18)7-16(19)15(13)9-20;/h2-7,14H,8-9H2,1H3;1H/t14-;/m0./s1
【InChIKey】
InChIKey=POPXXLXYDOGHOU-UQKRIMTDSA-N
【SMILES】
CN1Cc2c(cc(cc2Cl)Cl)[C@@H](C1)c3cccc(c3)Br.Cl
【MOL File】
ISOQUINOLINE, 4-(3-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOQUINOLINE, 4-(3-BROMOPHENYL)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-, HYDROCHLORIDE (1:1).cml