COC1=CC2=C(C=C1)NC(=O)OC2(C(F)(F)F)Cl
Nombre: 4-chloro-6-methoxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
SMILES: COC1=CC2=C(C=C1)NC(=O)OC2(C(F)(F)F)Cl

Molecular Processing

Molecular formula
C10H7ClF3NO3
Molecular weight
281.62
Exact mass
281.0067
XLogP
3.21
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
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
0.3
Molar refractivity
56.68

Supplementary Information

InChIKey: JUQGESDCFXQTAC-UHFFFAOYSA-N
Sinónimos
4-chloro-6-methoxy-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-oneSCHEMBL7006860
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