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100277-95-0 | Phosphonothioic acid, phenyl-, O-phenyl ester (6CI,9CI)
CAS No: 100277-95-0 Catalog No: AG0001GB MDL No:
Product Description
Catalog Number:
AG0001GB
Chemical Name:
Phosphonothioic acid, phenyl-, O-phenyl ester (6CI,9CI)
CAS Number:
100277-95-0
Molecular Formula:
C12H10O2PS-
Molecular Weight:
249.2454
IUPAC Name:
hydroxy-phenoxy-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H11O2PS/c13-15(16,12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1-10H,(H,13,16)
InChI Key:
PJJKHDWWJNJPFX-UHFFFAOYSA-N
SMILES:
[O-]P(=S)(c1ccccc1)Oc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.252g/mol
Monoisotopic Mass:
250.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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