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Home > Nitro Compounds > 20926-39-0
20926-39-0 | 1H-Azepine, hexahydro-1-(5-methyl-5-nitro-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-
CAS No: 20926-39-0 Catalog No: AG002K4X MDL No:
Product Description
Catalog Number:
AG002K4X
Chemical Name:
1H-Azepine, hexahydro-1-(5-methyl-5-nitro-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-
CAS Number:
20926-39-0
Molecular Formula:
C10H19N2O5P
Molecular Weight:
278.2420
IUPAC Name:
2-(azepan-1-yl)-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C10H19N2O5P/c1-10(12(13)14)8-16-18(15,17-9-10)11-6-4-2-3-5-7-11/h2-9H2,1H3
InChI Key:
SQVALLJJSAKMBA-UHFFFAOYSA-N
SMILES:
CC1(COP(=O)(OC1)N1CCCCCC1)[N+](=O)[O-]
NSC Number:
94249
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.245g/mol
Monoisotopic Mass:
278.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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