CAS: 55117-15-2
名称: 1-chloro-2-(chloromethyl)-3-fluorobenzene
SMILES:
C1=CC(=C(C(=C1)Cl)CCl)FMolecular Processing
Molecular formula
C7H5Cl2F
Molecular weight
179.02
Exact mass
177.9752
XLogP
3.22
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.97
Supplementary Information
InChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-N
同義語
2-Chloro-6-fluorobenzyl chloride1-Chloro-2-(chloromethyl)-3-fluorobenzeneBenzene, 1-chloro-2-(chloromethyl)-3-fluoro-UNII-A581KL6ZPNDTXSID80388551-Chloro-2-chloromethyl-3-fluorobenzenealpha,2-Dichloro-6-fluorotolueneEINECS 259-487-5A581KL6ZPNDTXCID6018855MJGOLNNLNQQIHR-UHFFFAOYSA-EC 259-487-5.ALPHA.,2-DICHLORO-6-FLUOROTOLUENERefChem:75343InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2MJGOLNNLNQQIHR-UHFFFAOYSA-N55117-15-21-Chloro-2-chloromethyl-3-fluoro-benzeneMFCD000008962-chloro-6-fluorobenzylchloride3-chloro-2-(chloromethyl)-1-fluorobenzene1-chloro-2-(chloromethyl)-3-fluoro-benzeneSCHEMBL6015692-chloro-6-fluorbenzyl chlorideCHEMBL3186001SCHEMBL307768272-chloro-6 fluorobenzyl chloride6-chloro-2-fluorobenzyl chloride2-chloro-6-fluoro-benzyl chlorideTox21_301630
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