C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)CBr)F
名称: [5-(bromomethyl)-2-fluorophenyl] benzoate
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)CBr)F

Molecular Processing

Molecular formula
C14H10BrFO2
Molecular weight
309.13
Exact mass
307.9848
XLogP
3.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
70.43

Supplementary Information

InChIKey: IJNQEIXYWXBACW-UHFFFAOYSA-N
同義語
SCHEMBL2060208IJNQEIXYWXBACW-UHFFFAOYSA-N3-benzoyloxy-4-fluorobenzyl bromideBenzoic Acid 5-bromomethyl-2-fluoro-phenyl Ester
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