C1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl
CAS: 346-55-4
Nombre: 4-chloro-7-(trifluoromethyl)quinoline
SMILES: C1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl

Molecular Processing

Molecular formula
C10H5ClF3N
Molecular weight
231.6
Exact mass
231.0063
XLogP
3.91
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
51.76

Supplementary Information

InChIKey: LLRQVSZVVAKRJA-UHFFFAOYSA-N
Sinónimos
4-Chloro-7-(trifluoromethyl)quinoline346-55-4Quinoline, 4-chloro-7-(trifluoromethyl)-EINECS 206-471-0DTXSID00188170NSC 91883RefChem:98500DTXCID30110661206-471-0LLRQVSZVVAKRJA-UHFFFAOYSA-N4-chloro-7-trifluoromethylquinolineMFCD000067754-chloro-7-trifluoromethyl quinolineNSC-918834-chloro-7-(trifluoromethyl)-quinolineNSC91883TimTec1_005248SCHEMBL317413CHEMBL567057SCHEMBL1552868SCHEMBL298781516VB933K8M5HMS1548O127-trifluoromethyl-4-chloroquinoline4-Chloro-7-trifluoromethyl-quinolineEBC-12346GEO-00824SBB057554STK946268AKOS002671341
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