200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88252-79-3
88252-79-3 | Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) O-octyl ester
CAS No: 88252-79-3 Catalog No: AG004CGZ MDL No:
Product Description
Catalog Number:
AG004CGZ
Chemical Name:
Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) O-octyl ester
CAS Number:
88252-79-3
Molecular Formula:
C20H26NO4PS
Molecular Weight:
407.4635
IUPAC Name:
(4-nitrophenoxy)-octoxy-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C20H26NO4PS/c1-2-3-4-5-6-10-17-24-26(27,20-11-8-7-9-12-20)25-19-15-13-18(14-16-19)21(22)23/h7-9,11-16H,2-6,10,17H2,1H3
InChI Key:
UFPVXACMTRZQSH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOP(=S)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.465g/mol
Monoisotopic Mass:
407.132g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.