C1COC2=C(O1)C=C(C=C2F)C=O
CAS: 838857-89-9
Name: 5-fluoro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
SMILES: C1COC2=C(O1)C=C(C=C2F)C=O

Molecular Processing

Molecular formula
C9H7FO3
Molecular weight
182.15
Exact mass
182.0379
XLogP
1.41
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.78

Supplementary Information

InChIKey: ZTQLIJKXJZMVIV-UHFFFAOYSA-N
Synonyme
8-fluoro-2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde838857-89-9SCHEMBL1058342ZTQLIJKXJZMVIV-UHFFFAOYSA-NDB-3508858-fluoro-2,3-dihydro-1,4-benzodioxin-6-carbaldehyde8-fluoro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde8-fluoro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde
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