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284661-82-1 | Phosphonic acid, (3-iodoheptyl)-, diethyl ester (9CI)
CAS No: 284661-82-1 Catalog No: AG002VE2 MDL No:
Product Description
Catalog Number:
AG002VE2
Chemical Name:
Phosphonic acid, (3-iodoheptyl)-, diethyl ester (9CI)
CAS Number:
284661-82-1
Molecular Formula:
C11H24IO3P
Molecular Weight:
362.1847
IUPAC Name:
1-diethoxyphosphoryl-3-iodoheptane
InChI:
InChI=1S/C11H24IO3P/c1-4-7-8-11(12)9-10-16(13,14-5-2)15-6-3/h11H,4-10H2,1-3H3
InChI Key:
RMKLDFKWHCNMNJ-UHFFFAOYSA-N
SMILES:
CCCCC(CCP(=O)(OCC)OCC)I
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.188g/mol
Monoisotopic Mass:
362.051g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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