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Home > Nitro Compounds > 1951444-70-4
1951444-70-4 | (3-Nitro-phenyl)-phosphonic acid di-tert-butyl ester
CAS No: 1951444-70-4 Catalog No: AG00I3C1 MDL No:
Product Description
Catalog Number:
AG00I3C1
Chemical Name:
(3-Nitro-phenyl)-phosphonic acid di-tert-butyl ester
CAS Number:
1951444-70-4
IUPAC Name:
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-3-nitrobenzene
InChI:
InChI=1S/C14H22NO5P/c1-13(2,3)19-21(18,20-14(4,5)6)12-9-7-8-11(10-12)15(16)17/h7-10H,1-6H3
InChI Key:
OOZDJDXMFVMWQG-UHFFFAOYSA-N
Properties
Complexity:
399
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:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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