이름: 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
SMILES:
CC1(OCCO1)C2=C(C=CC(=C2)F)BrMolecular Processing
Molecular formula
C10H10BrFO2
Molecular weight
261.09
Exact mass
259.9848
XLogP
2.81
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
53.36
Supplementary Information
InChIKey: NFSPNSSZAQKABK-UHFFFAOYSA-N
동의어
SCHEMBL5635402NFSPNSSZAQKABK-UHFFFAOYSA-N2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
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