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862094-14-2 | Diethyl [(5-chloro-1-benzothiophen-3-yl);methyl]phosphonate
CAS No: 862094-14-2 Catalog No: AG004K2Q MDL No:MFCD19703226
Product Description
Catalog Number:
AG004K2Q
Chemical Name:
Diethyl [(5-chloro-1-benzothiophen-3-yl);methyl]phosphonate
CAS Number:
862094-14-2
Molecular Formula:
C13H16ClO3PS
Molecular Weight:
318.7561
MDL Number:
MFCD19703226
IUPAC Name:
5-chloro-3-(diethoxyphosphorylmethyl)-1-benzothiophene
InChI:
InChI=1S/C13H16ClO3PS/c1-3-16-18(15,17-4-2)8-10-9-19-13-6-5-11(14)7-12(10)13/h5-7,9H,3-4,8H2,1-2H3
InChI Key:
CJICNRBXVDUWOQ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1csc2c1cc(Cl)cc2)OCC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.752g/mol
Monoisotopic Mass:
318.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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