CCOC(=O)C1=CC2=CC(=C(C=C2OC1C(F)(F)F)F)Cl
Name: ethyl 6-chloro-7-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
SMILES: CCOC(=O)C1=CC2=CC(=C(C=C2OC1C(F)(F)F)F)Cl

Molecular Processing

Molecular formula
C13H9ClF4O3
Molecular weight
324.66
Exact mass
324.0176
XLogP
3.75
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
66.49

Supplementary Information

InChIKey: HPSAQQCNIIGSRJ-UHFFFAOYSA-N
Synonyme
ethyl 6-chloro-7-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylateSCHEMBL5645339ethyl 6-chloro-7-fluoro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
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