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130365-34-3 | 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide
CAS No: 130365-34-3 Catalog No: AG000UAV MDL No:
Product Description
Catalog Number:
AG000UAV
Chemical Name:
4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide
CAS Number:
130365-34-3
Molecular Formula:
C23H39N2O4PS
Molecular Weight:
470.6055
IUPAC Name:
N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
InChI:
InChI=1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)
InChI Key:
LBDUPNUHUSLPMT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNP1(=S)OCc2c(O1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.237g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.609g/mol
Monoisotopic Mass:
470.237g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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