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23485-35-0 | Phosphorous acid, tris(4-nitrophenyl) ester
CAS No: 23485-35-0 Catalog No: AG002NE1 MDL No:
Product Description
Catalog Number:
AG002NE1
Chemical Name:
Phosphorous acid, tris(4-nitrophenyl) ester
CAS Number:
23485-35-0
Molecular Formula:
C18H12N3O9P
Molecular Weight:
445.2763
IUPAC Name:
tris(4-nitrophenyl) phosphite
InChI:
InChI=1S/C18H12N3O9P/c22-19(23)13-1-7-16(8-2-13)28-31(29-17-9-3-14(4-10-17)20(24)25)30-18-11-5-15(6-12-18)21(26)27/h1-12H
InChI Key:
UCVPBPFMIUPTQM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OP(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.031g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.28g/mol
Monoisotopic Mass:
445.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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