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Home > Nitro Compounds > 80751-39-9
80751-39-9 | Phosphinic acid,(1-methylethyl)phenyl-, 4-nitrophenyl ester (9CI)
CAS No: 80751-39-9 Catalog No: AG0058BI MDL No:
Product Description
Catalog Number:
AG0058BI
Chemical Name:
Phosphinic acid,(1-methylethyl)phenyl-, 4-nitrophenyl ester (9CI)
CAS Number:
80751-39-9
Molecular Formula:
C15H16NO4P
Molecular Weight:
305.2656
IUPAC Name:
1-nitro-4-[phenyl(propan-2-yl)phosphoryl]oxybenzene
InChI:
InChI=1S/C15H16NO4P/c1-12(2)21(19,15-6-4-3-5-7-15)20-14-10-8-13(9-11-14)16(17)18/h3-12H,1-2H3
InChI Key:
OUZVRLZAQUEQAZ-UHFFFAOYSA-N
SMILES:
CC(P(=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.27g/mol
Monoisotopic Mass:
305.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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