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87844-58-4 | 1H-Pyrazole, 3,4-dibromo-1-[(dimethoxyphosphinothioyl)oxy]-
CAS No: 87844-58-4 Catalog No: AG004JFV MDL No:
Product Description
Catalog Number:
AG004JFV
Chemical Name:
1H-Pyrazole, 3,4-dibromo-1-[(dimethoxyphosphinothioyl)oxy]-
CAS Number:
87844-58-4
Molecular Formula:
C5H7Br2N2O3PS
Molecular Weight:
365.9674
IUPAC Name:
(3,4-dibromopyrazol-1-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C5H7Br2N2O3PS/c1-10-13(14,11-2)12-9-3-4(6)5(7)8-9/h3H,1-2H3
InChI Key:
DUANKQPJMQCTAW-UHFFFAOYSA-N
SMILES:
COP(=S)(On1nc(c(c1)Br)Br)OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.826g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.964g/mol
Monoisotopic Mass:
363.828g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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