Free Chemical Databases
-
[Synonyms]
PHS 97
NSC53444
Phosphinic acid, bis(1-aziridinyl)-, 1-naphthyl ester
Phosphinic acid, bis(1-aziridinyl)-, 1-naphthalenyl ester
[Structure]
[ Properties Computed from Structure]
Molecular Weight 274.254861 [g/mol] Molecular Formula C14H15N2O2P XLogP 2.2 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 4 Exact Mass 274.087114 MonoIsotopic Mass 274.087114 Topological Polar Surface Area 32.3 Heavy Atom Count 19 Formal Charge 0 Complexity 379 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(aziridin-1-yl-naphthalen-1-yloxyphosphoryl)aziridine
Canonical SMILES: C1CN1P(=O)(N2CC2)OC3=CC=CC4=CC=CC=C43
InChI: InChI=1/C14H15N2O2P/c17-19(15-8-9-15,
16-10-11-16)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2
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