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87112-25-2 | N-[(2-chloro-6-nitro-phenoxy)-ethoxy-phosphinothioyl]propan-2-amine
CAS No: 87112-25-2 Catalog No: AG004P6P MDL No:
Product Description
Catalog Number:
AG004P6P
Chemical Name:
N-[(2-chloro-6-nitro-phenoxy)-ethoxy-phosphinothioyl]propan-2-amine
CAS Number:
87112-25-2
Molecular Formula:
C11H16ClN2O4PS
Molecular Weight:
338.7475
IUPAC Name:
N-[(2-chloro-6-nitrophenoxy)-ethoxyphosphinothioyl]propan-2-amine
InChI:
InChI=1S/C11H16ClN2O4PS/c1-4-17-19(20,13-8(2)3)18-11-9(12)6-5-7-10(11)14(15)16/h5-8H,4H2,1-3H3,(H,13,20)
InChI Key:
KJFJMUPUDSSSPB-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1c(Cl)cccc1[N+](=O)[O-])NC(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.743g/mol
Monoisotopic Mass:
338.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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