CAS: 802905-83-5
名称: 2-chloro-4-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]pyridine
SMILES:
CC1=NC=C(N1)C#CC2=CC(=NC=C2)ClMolecular Processing
Molecular formula
C11H8ClN3
Molecular weight
217.66
Exact mass
217.0407
XLogP
2.17
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
58.55
Supplementary Information
InChIKey: LNBMKQUSQRZVMB-UHFFFAOYSA-N
同義語
802905-83-5SCHEMBL9813162-Chloro-4-[(2-methyl-1H-imidazol-5-yl)ethynyl]pyridineDTXSID70732609LNBMKQUSQRZVMB-UHFFFAOYSA-N2-Chloro-4-(2-methyl-1H-imidazol-4-ylethynyl)-pyridine2-chloro-4-(2-methyl-1 H-imidazol-4-ylethynyl)-pyridine
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