COC(=O)C1=CC(=CC(=C1)C(=O)O)I
CAS: 93116-99-5
الاسم: 3-iodo-5-methoxycarbonylbenzoic acid
SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)I

Molecular Processing

Molecular formula
C9H7IO4
Molecular weight
306.05
Exact mass
305.9389
XLogP
1.78
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.111
Molar refractivity
57.46

Supplementary Information

InChIKey: NDJVBDKXAJSYFV-UHFFFAOYSA-N
مرادفات
3-Iodo-5-(methoxycarbonyl)benzoic acid93116-99-55-Iodo-mono-methyl isophthalate3-iodo-5-methoxycarbonylbenzoic acidMFCD09029574C9H7IO43-Iodo-5-(methoxycarbonyl}benzoic acid5-Iodo-isophthalic acid monomethyl esterAR3107SCHEMBL3354749SCHEMBL30530249DTXSID90578788NDJVBDKXAJSYFV-UHFFFAOYSA-N3-methoxycarbonyl-5-iodobenzoic acid5-methoxycarbonyl-3-iodobenzoic acid3-iodo-5-methoxycarbonyl-benzoic acidAKOS005216366AB49271AS-45525SY362282CS-0200118F213176
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