[3-(1-chloro-3'-methoxyspiro[adamantane-4,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate

CAS: 142456-88-0

Molecular Formula	`C18H22ClO7P`
Molecular Weight	416.8 g/mol
LogP	1.8
Topological Polar Surface Area	94.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	416.07916
Heavy Atoms	27
Complexity	652.0

Chemical Identifiers

CAS Number	142456-88-0
SMILES	`COC1(C2(C3CC4CC2CC(C4)(C3)Cl)OO1)C5=CC(=CC=C5)OP(=O)(O)O`
InChIKey	`QWXOJIDBSHLIFI-UHFFFAOYSA-N`

📖 Product Overview

[3-(1-chloro-3'-methoxyspiro[adamantane-4,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate (CAS: 142456-88-0) is a chemical compound with molecular formula C18H22ClO7P and molecular weight 416.8 g/mol. Its IUPAC systematic name is [3-(1-chloro-3'-methoxyspiro[adamantane-4,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate. LogP 1.8 Topological Polar Surface Area 94.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 416.07916 Heavy Atoms 27 Complexity 652.0 InChI Key: QWXOJIDBSHLIFI-UHFFFAOYSA-N. SMILES: COC1(C2(C3CC4CC2CC(C4)(C3)Cl)OO1)C5=CC(=CC=C5)OP(=O)(O)O.

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