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Home > Nitro Compounds > 201742-26-9
201742-26-9 | Phenol, 5-methyl-2-nitro-, 1,1',1''-phosphate
CAS No: 201742-26-9 Catalog No: AG0027TJ MDL No:
Product Description
Catalog Number:
AG0027TJ
Chemical Name:
Phenol, 5-methyl-2-nitro-, 1,1',1''-phosphate
CAS Number:
201742-26-9
Molecular Formula:
C21H18N3O10P
Molecular Weight:
503.3555
IUPAC Name:
tris(5-methyl-2-nitrophenyl) phosphate
InChI:
InChI=1S/C21H18N3O10P/c1-13-4-7-16(22(25)26)19(10-13)32-35(31,33-20-11-14(2)5-8-17(20)23(27)28)34-21-12-15(3)6-9-18(21)24(29)30/h4-12H,1-3H3
InChI Key:
STACPXMRQXVFEV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])Oc1cc(C)ccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.073g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.36g/mol
Monoisotopic Mass:
503.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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