Cn1nc(-c2cc(C(Br)Br)c(Cl)cc2F)c(Cl)c1OC(F)F
이름: 4-chloro-3-(4-chloro-5-dibromomethyl-2-fluorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
SMILES: Cn1nc(-c2cc(C(Br)Br)c(Cl)cc2F)c(Cl)c1OC(F)F

Molecular Processing

Molecular formula
C12H7Br2Cl2F3N2O
Molecular weight
482.91
Exact mass
479.8254
XLogP
5.92
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.85

Supplementary Information

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