Name: Name:Diethyl [(5-chloro-1-benzothiophen-3-yl)Methyl]phosphonate
Brand: Angene
SKU: AG004K2Q
Rating: 90 (10 reviews)

Diethyl [(5-chloro-1-benzothiophen-3-yl)Methyl]phosphonate

CAS No.:

862094-14-2

Catalog Number:

AG004K2Q

Molecular Formula:

C13H16ClO3PS

Molecular Weight:

318.7561

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

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.752g/mol

Monoisotopic Mass:

318.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3