158631-53-9
2-(CARBOXYMETHYL)-6-CHLORO-4-HYDROXYCINNOLINIUM INNER SALT
Name2-(CARBOXYMETHYL)-6-CHLORO-4-HYDROXYCINNOLINIUM INNER SALT
1Identification
【Name】
2-(CARBOXYMETHYL)-6-CHLORO-4-HYDROXYCINNOLINIUM INNER SALT
【CAS】
【MDL】
MFCD01752111
【English Synonyms】
【Formula】
C10 H7 Cl N2 O3
【MolWeight】
238.629
【Inchi】
InChI=1S/C10H7ClN2O3/c11-6-1-2-8-7(3-6)9(14)4-13(12-8)5-10(15)16/h1-4H,5H2,(H-,12,14,15,16)
【InChIKey】
InChIKey=OMQOSAQYIWUJKE-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1Cl)c(c[n+](n2)CC(=O)[O-])O
【MOL File】
2-(CARBOXYMETHYL)-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CARBOXYMETHYL)-6-CHLORO-4-HYDROXYCINNOLINIUM INNER SALT.cml