207569-04-8
2-NAPHTHALENECARBOXAMIDE, 7-BROMO-N-(2-METHOXYPHENYL)-3-(PHOSPHONOOXY)-, DISODIUM SALT HYDRATE
Name2-NAPHTHALENECARBOXAMIDE, 7-BROMO-N-(2-METHOXYPHENYL)-3-(PHOSPHONOOXY)-, DISODIUM SALT HYDRATE
FormulaC18 H13 Br N O6 P . 2 Na . 7 H2 O
1Identification
【Name】
2-NAPHTHALENECARBOXAMIDE, 7-BROMO-N-(2-METHOXYPHENYL)-3-(PHOSPHONOOXY)-, DISODIUM SALT HYDRATE
【CAS】
【MDL】
MFCD00150774
【English Synonyms】
【Formula】
C18 H13 Br N O6 P . 2 Na . 7 H2 O
【MolWeight】
622.263
【Inchi】
InChI=1S/C18H15BrNO6P.2Na.7H2O/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24;;;;;;;;;/h2-10H,1H3,(H,20,21)(H2,22,23,24);;;7*1H2/q;2*+1;;;;;;;/p-2
【InChIKey】
InChIKey=DVIMVAKFWIBOMW-UHFFFAOYSA-L
【SMILES】
COc1ccccc1NC(=O)c2cc3cc(ccc3cc2OP(=O)([O-])[O-])Br.O.O.O.O.O.O.O.[Na+].[Na+]
【MOL File】
2-NAPHTHALENECARBOXA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-NAPHTHALENECARBOXAMIDE, 7-BROMO-N-(2-METHOXYPHENYL)-3-(PHOSPHONOOXY)-, DISODIUM SALT HYDRATE.cml