Free Chemical Databases
-
[Synonyms]
NSC124069
[Structure]
[ Properties Computed from Structure]
Molecular Weight 244.652881 [g/mol] Molecular Formula C8H18ClO4P XLogP 1 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 8 Exact Mass 244.063123 MonoIsotopic Mass 244.063123 Topological Polar Surface Area 55.8 Heavy Atom Count 14 Formal Charge 0 Complexity 186 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-(chloromethyl-propan-2-yloxyphosphoryl)oxybutan-1-ol
Canonical SMILES: CC(C)OP(=O)(CCl)OCCCCO
InChI: InChI=1/C8H18ClO4P/c1-8(2)13-14(11,7-9)12-6-4-3-5-10/h8,10H,3-7H2,1-2H3
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