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176102-11-7 | 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(4-methylphenoxy)-, 2-sulfide
CAS No: 176102-11-7 Catalog No: AG0021G3 MDL No:
Product Description
Catalog Number:
AG0021G3
Chemical Name:
2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(4-methylphenoxy)-, 2-sulfide
CAS Number:
176102-11-7
Molecular Formula:
C10H14NO2PS
Molecular Weight:
243.2624
IUPAC Name:
2-(4-methylphenoxy)-2-sulfanylidene-1,3,2λ5-oxazaphosphinane
InChI:
InChI=1S/C10H14NO2PS/c1-9-3-5-10(6-4-9)13-14(15)11-7-2-8-12-14/h3-6H,2,7-8H2,1H3,(H,11,15)
InChI Key:
YIMQGPHCPHHSCZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OP1(=S)NCCCO1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.261g/mol
Monoisotopic Mass:
243.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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