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Home > Nitro Compounds > 71002-68-1
71002-68-1 | 1-(butoxy-butyl-phosphoryl)oxy-4-nitro-benzene
CAS No: 71002-68-1 Catalog No: AG00FMYT MDL No:
Product Description
Catalog Number:
AG00FMYT
Chemical Name:
1-(butoxy-butyl-phosphoryl)oxy-4-nitro-benzene
CAS Number:
71002-68-1
IUPAC Name:
1-[butoxy(butyl)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C14H22NO5P/c1-3-5-11-19-21(18,12-6-4-2)20-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
PCXYZTFOYPFJFD-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.306g/mol
Monoisotopic Mass:
315.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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