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Home > Nitro Compounds > 189635-44-7
189635-44-7 | Phosphoric acid, hexadecyl methyl 4-nitrophenyl ester
CAS No: 189635-44-7 Catalog No: AG002DU5 MDL No:
Product Description
Catalog Number:
AG002DU5
Chemical Name:
Phosphoric acid, hexadecyl methyl 4-nitrophenyl ester
CAS Number:
189635-44-7
Molecular Formula:
C23H40NO6P
Molecular Weight:
457.5406
IUPAC Name:
hexadecyl methyl (4-nitrophenyl) phosphate
InChI:
InChI=1S/C23H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-31(27,28-2)30-23-19-17-22(18-20-23)24(25)26/h17-20H,3-16,21H2,1-2H3
InChI Key:
BFGORAJNYUYZBI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.259g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.548g/mol
Monoisotopic Mass:
457.259g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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