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Home > Nitro Compounds > 144658-84-4
144658-84-4 | 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(4-nitrophenoxy)-, 2-sulfide
CAS No: 144658-84-4 Catalog No: AG001JY4 MDL No:
Product Description
Catalog Number:
AG001JY4
Chemical Name:
2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(4-nitrophenoxy)-, 2-sulfide
CAS Number:
144658-84-4
Molecular Formula:
C9H11N2O4PS
Molecular Weight:
274.2334
IUPAC Name:
2-(4-nitrophenoxy)-2-sulfanylidene-1,3,2λ5-oxazaphosphinane
InChI:
InChI=1S/C9H11N2O4PS/c12-11(13)8-2-4-9(5-3-8)15-16(17)10-6-1-7-14-16/h2-5H,1,6-7H2,(H,10,17)
InChI Key:
ZGBLEJZYFLYUKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OP1(=S)NCCCO1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.231g/mol
Monoisotopic Mass:
274.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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