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13194-55-3 | Phosphorothioic acid, O-(3-bromophenyl) O,O-dimethyl ester
CAS No: 13194-55-3 Catalog No: AG000ZYJ MDL No:
Product Description
Catalog Number:
AG000ZYJ
Chemical Name:
Phosphorothioic acid, O-(3-bromophenyl) O,O-dimethyl ester
CAS Number:
13194-55-3
Molecular Formula:
C8H10BrO3PS
Molecular Weight:
297.1060
IUPAC Name:
(3-bromophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C8H10BrO3PS/c1-10-13(14,11-2)12-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChI Key:
CXJBMDJOGNFUFK-UHFFFAOYSA-N
SMILES:
COP(=S)(Oc1cccc(c1)Br)OC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.927g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.103g/mol
Monoisotopic Mass:
295.927g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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