이름: Ethyl 1-(4-bromophenyl)-5-cyclopropyl-pyrazole-4-carboxylate
SMILES:
CCOC(=O)c1cnn(-c2ccc(Br)cc2)c1C1CC1Molecular Processing
Molecular formula
C15H15BrN2O2
Molecular weight
335.2
Exact mass
334.0317
XLogP
3.69
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
79.2
Supplementary Information
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