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81542-84-9 | 4-NITROPHENYL METHYL(4-TRIFLUOROMETHYLPHENYL)PHOSPHINATE
CAS No: 81542-84-9 Catalog No: AG005K7C MDL No:
Product Description
Catalog Number:
AG005K7C
Chemical Name:
4-NITROPHENYL METHYL(4-TRIFLUOROMETHYLPHENYL)PHOSPHINATE
CAS Number:
81542-84-9
Molecular Formula:
C14H11F3NO4P
Molecular Weight:
345.2104
IUPAC Name:
1-[methyl-(4-nitrophenoxy)phosphoryl]-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H11F3NO4P/c1-23(21,13-8-2-10(3-9-13)14(15,16)17)22-12-6-4-11(5-7-12)18(19)20/h2-9H,1H3
InChI Key:
PEIIURDFPGKMIM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OP(=O)(c1ccc(cc1)C(F)(F)F)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.214g/mol
Monoisotopic Mass:
345.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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