COP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])OC2CCCCO2)OC
이름: 2-[dimethoxyphosphoryl-(3-nitrophenyl)methoxy]oxane
SMILES: COP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])OC2CCCCO2)OC

Molecular Processing

Molecular formula
C14H20NO7P
Molecular weight
345.29
Exact mass
345.0977
XLogP
3.62
TPSA
97.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
82.14

Supplementary Information

InChIKey: XTESELWFLHFDRS-UHFFFAOYSA-N
동의어
SCHEMBL1848224XTESELWFLHFDRS-UHFFFAOYSA-N[(3-Nitro-phenyl)-(tetrahydro-pyran-2-yloxy)-methyl]-phosphonic acid dimethyl ester
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