CAS: 597562-24-8
名称: methyl 4-hydroxy-3-iodo-5-nitrobenzoate
SMILES:
COC(=O)C1=CC(=C(C(=C1)I)O)[N+](=O)[O-]Molecular Processing
Molecular formula
C8H6INO5
Molecular weight
323.04
Exact mass
322.9291
XLogP
1.69
TPSA
89.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
58.82
Supplementary Information
InChIKey: BQTWBQSSFQSPLC-UHFFFAOYSA-N
同義語
methyl 4-hydroxy-3-iodo-5-nitrobenzoate597562-24-8SCHEMBL3353665BQTWBQSSFQSPLC-UHFFFAOYSA-NMFCD27926096methyl 4-hydroxy-3-iodo-5-nitro-benzoateG67798F5549374-Hydroxy-3-iodo-5-nitro-benzoic acid methyl ester
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