CCOC(=O)C1=C(NN=C1)I
CAS: 827316-43-8
Nom: ethyl 5-iodo-1H-pyrazole-4-carboxylate
SMILES: CCOC(=O)C1=C(NN=C1)I

Molecular Processing

Molecular formula
C6H7IN2O2
Molecular weight
266.04
Exact mass
265.9552
XLogP
1.19
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
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
0.333
Molar refractivity
47.26

Supplementary Information

InChIKey: GCZGLIKEVZAURZ-UHFFFAOYSA-N
Synonymes
ethyl 3-iodo-1H-pyrazole-4-carboxylateRefChem:594991811-534-6827316-43-8ethyl 5-iodo-1H-pyrazole-4-carboxylate3-Iodo-1H-pyrazole-4-carboxylic acid ethyl esterMFCD180725913-Iodopyrazole-4-carboxylic acid ethyl esterethyl 3-iodopyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 3-iodo-, ethyl esterMFCD20923458SCHEMBL416936SCHEMBL5752771DTXSID60670400GCZGLIKEVZAURZ-UHFFFAOYSA-NCS-M3427AKOS015919732EBC-473082FI74684PB43512DS-16217SY041373EN300-226078F76205F091531
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Recherche Etendue

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