CAS: 705-28-2
名称: 1-ethynyl-3-(trifluoromethyl)benzene
SMILES:
C#CC1=CC(=CC=C1)C(F)(F)FMolecular Processing
Molecular formula
C9H5F3
Molecular weight
170.13
Exact mass
170.0343
XLogP
2.69
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
12
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
0.111
Molar refractivity
39.38
Supplementary Information
InChIKey: PAHXLHWOHJTWRU-UHFFFAOYSA-N
同義語
705-28-21-ethynyl-3-(trifluoromethyl)benzeneDTXSID80380973RefChem:230440DTXCID10331998628-245-43-(Trifluoromethyl)phenylacetylene1-Ethynyl-3-(trifluoromethyl)-Benzene3-Ethynyl-alpha,alpha,alpha-trifluorotolueneMFCD004673553-Ethynyl-|A,|A,|A-trifluorotoluene3-EthynylbenzotrifluorideBenzene, 1-ethynyl-3-(trifluoromethyl)-SCHEMBL9338753-trifluoromethylphenylacetyleneSCHEMBL18589073-trifluoromethylphenyl acetyleneSCHEMBL15352300SCHEMBL15352739SCHEMBL15988598SCHEMBL16951473SCHEMBL298909413-Ethynyl-a,a,a-trifluorotoluene1-Ethynyl-3-trifluoromethylbenzene3-(trifluoromethyl)-phenylacetyleneSBB0883733-ethynyl-1-(trifluoromethyl)benzeneAKOS005257066AB91829PS-8709
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