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87989-74-0 | Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester
CAS No: 87989-74-0 Catalog No: AG004OQK MDL No:
Product Description
Catalog Number:
AG004OQK
Chemical Name:
Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester
CAS Number:
87989-74-0
Molecular Formula:
C9H20ClO4P
Molecular Weight:
258.6795
IUPAC Name:
1-chloro-3-[ethoxy(propoxymethyl)phosphoryl]oxypropane
InChI:
InChI=1S/C9H20ClO4P/c1-3-7-12-9-15(11,13-4-2)14-8-5-6-10/h3-9H2,1-2H3
InChI Key:
DNZSOKCFJHPTMR-UHFFFAOYSA-N
SMILES:
ClCCCOP(=O)(COCCC)OCC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.679g/mol
Monoisotopic Mass:
258.079g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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