CCOC(=O)C1=CC=CC(=C1)C2=NC(=NC=C2)Cl
CAS: 859516-86-2
Nombre: ethyl 3-(2-chloropyrimidin-4-yl)benzoate
SMILES: CCOC(=O)C1=CC=CC(=C1)C2=NC(=NC=C2)Cl

Molecular Processing

Molecular formula
C13H11ClN2O2
Molecular weight
262.7
Exact mass
262.0509
XLogP
2.97
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
68.43

Supplementary Information

InChIKey: ZKDZOSMXELUVEN-UHFFFAOYSA-N
Sinónimos
859516-86-2Benzoic acid, 3-(2-chloro-4-pyrimidinyl)-, ethyl esterEthyl 3-(2-chloro-4-pyrimidinyl)benzoateC5PS7X4P3YSCHEMBL9594403-(2-Chloropyrimidin-4-yl)benzoic acid ethyl ester3-(2-Chloro-pyrimidin-4-yl)-benzoic acid ethyl esterZKDZOSMXELUVEN-UHFFFAOYSA-NDTXSID701274843ethyl 3-(2-chloropyrimidin-4-yl)benzoate
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