Name: 1-(4-bromophenyl)-1H-pyrazole
SMILES:
Brc1ccc(-n2cccn2)cc1Molecular Processing
Molecular formula
C9H7BrN2
Molecular weight
223.07
Exact mass
221.9793
XLogP
2.63
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.26
Supplementary Information
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