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Home > Nitro Compounds > 89822-85-5
89822-85-5 | Phosphonic acid, [(4-nitrophenyl)methyl]-, bis(1-methylethyl) ester
CAS No: 89822-85-5 Catalog No: AG003Z2W MDL No:
Product Description
Catalog Number:
AG003Z2W
Chemical Name:
Phosphonic acid, [(4-nitrophenyl)methyl]-, bis(1-methylethyl) ester
CAS Number:
89822-85-5
Molecular Formula:
C13H20NO5P
Molecular Weight:
301.2754
IUPAC Name:
1-[di(propan-2-yloxy)phosphorylmethyl]-4-nitrobenzene
InChI:
InChI=1S/C13H20NO5P/c1-10(2)18-20(17,19-11(3)4)9-12-5-7-13(8-6-12)14(15)16/h5-8,10-11H,9H2,1-4H3
InChI Key:
CDPMOOFFMLPKGE-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(Cc1ccc(cc1)[N+](=O)[O-])OC(C)C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.279g/mol
Monoisotopic Mass:
301.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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