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88064-12-4 | 1H-Pyrazole, 3,4-dibromo-1-[[ethoxy(propylthio)phosphinothioyl]oxy]-
CAS No: 88064-12-4 Catalog No: AG004I43 MDL No:
Product Description
Catalog Number:
AG004I43
Chemical Name:
1H-Pyrazole, 3,4-dibromo-1-[[ethoxy(propylthio)phosphinothioyl]oxy]-
CAS Number:
88064-12-4
Molecular Formula:
C8H13Br2N2O2PS2
Molecular Weight:
424.1128
IUPAC Name:
(3,4-dibromopyrazol-1-yl)oxy-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C8H13Br2N2O2PS2/c1-3-5-17-15(16,13-4-2)14-12-6-7(9)8(10)11-12/h6H,3-5H2,1-2H3
InChI Key:
UYRRGJSAHILTFX-UHFFFAOYSA-N
SMILES:
CCCSP(=S)(On1nc(c(c1)Br)Br)OCC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.85g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.106g/mol
Monoisotopic Mass:
421.852g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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