Name: prop-2-ynyl 2,5-difluoro-4-prop-2-ynoxybenzoate
SMILES:
C#CCOC1=C(C=C(C(=C1)F)C(=O)OCC#C)FMolecular Processing
Molecular formula
C13H8F2O3
Molecular weight
250.2
Exact mass
250.0442
XLogP
1.77
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
59.8
Supplementary Information
InChIKey: JTROTZABUKSYQS-UHFFFAOYSA-N
Synonyme
SCHEMBL1927743JTROTZABUKSYQS-UHFFFAOYSA-N2-propynyl 2,5-difluoro-4-(2-propynyloxy)benzoate2,5-difluoro-4-(2-propynyloxy)benzoic acid 2-propynyl ester
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