Name: 2-[[bis(allyloxy)phosphoryl]oxymethyl]-3-chlorobenzoic acid
SMILES:
C=CCOP(=O)(OCC=C)OCc1c(Cl)cccc1C(=O)OMolecular Processing
Molecular formula
C14H16ClO6P
Molecular weight
346.7
Exact mass
346.0373
XLogP
4.07
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
83.1
Supplementary Information
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