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87388-48-5 | Phosphonic acid, [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-, diethyl ester
CAS No: 87388-48-5 Catalog No: AG004K3E MDL No:
Product Description
Catalog Number:
AG004K3E
Chemical Name:
Phosphonic acid, [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-, diethyl ester
CAS Number:
87388-48-5
Molecular Formula:
C14H17ClNO3P
Molecular Weight:
313.7164
IUPAC Name:
3-(2-chlorophenyl)-4-diethoxyphosphoryl-1H-pyrrole
InChI:
InChI=1S/C14H17ClNO3P/c1-3-18-20(17,19-4-2)14-10-16-9-12(14)11-7-5-6-8-13(11)15/h5-10,16H,3-4H2,1-2H3
InChI Key:
FGIMBWMMYIOIBP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1c[nH]cc1c1ccccc1Cl)OCC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.718g/mol
Monoisotopic Mass:
313.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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