Nom: nicotinoyl chloride hydrochloride
SMILES:
Cl.O=C(Cl)c1cccnc1Molecular Processing
Molecular formula
C6H5Cl2NO
Molecular weight
178.02
Exact mass
176.9748
XLogP
1.88
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0
Molar refractivity
41.67
Supplementary Information
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