이름: 2,5-dichloro-3-nitro-terephthalic acid
SMILES:
O=C(O)c1cc(Cl)c(C(=O)O)c([N+](=O)[O-])c1ClMolecular Processing
Molecular formula
C8H3Cl2NO6
Molecular weight
280.02
Exact mass
278.9337
XLogP
2.3
TPSA
117.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.03
Supplementary Information
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