CAS
116-29-0 Purity
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116-29-0 Purity
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Specification
Molecular Formula: C7H16ClO4P
Molecular Weight: 230.62 g/mol
IUPAC Name: 1-chloro-2-(diethoxyphosphorylmethoxy)ethane
InChI: InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3
InChIKey: SRYMPIRBPPQDPD-UHFFFAOYSA-N
Canonical SMILES: CCOP(=O)(COCCCl)OCC
CAS Number: 116384-56-6
European Community (EC) Number: 686-745-8
XLogP3-AA: 0.7
Yes, the compound is canonicalized.