Name: 4-chloro-1H-pyrazole-5-carboxylic acid
SMILES:
O=C(O)c1[nH]ncc1ClMolecular Processing
Molecular formula
C4H3ClN2O2
Molecular weight
146.53
Exact mass
145.9883
XLogP
0.76
TPSA
65.98
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
30.56
Supplementary Information
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