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Home > Nitro Compounds > 88618-45-5
88618-45-5 | Phosphinic acid,dipropyl-, m-nitrophenyl ester
CAS No: 88618-45-5 Catalog No: AG004CAZ MDL No:
Product Description
Catalog Number:
AG004CAZ
Chemical Name:
Phosphinic acid,dipropyl-, m-nitrophenyl ester
CAS Number:
88618-45-5
Molecular Formula:
C12H18NO4P
Molecular Weight:
271.2494
IUPAC Name:
1-dipropylphosphoryloxy-3-nitrobenzene
InChI:
InChI=1S/C12H18NO4P/c1-3-8-18(16,9-4-2)17-12-7-5-6-11(10-12)13(14)15/h5-7,10H,3-4,8-9H2,1-2H3
InChI Key:
RDKSLHWQSTUUHY-UHFFFAOYSA-N
SMILES:
CCCP(=O)(Oc1cccc(c1)[N+](=O)[O-])CCC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.253g/mol
Monoisotopic Mass:
271.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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