CCC1=C(N=C(N1)C(=O)O)Cl
CAS: 1171124-67-6
الاسم: 4-chloro-5-ethyl-1H-imidazole-2-carboxylic acid
SMILES: CCC1=C(N=C(N1)C(=O)O)Cl

Molecular Processing

Molecular formula
C6H7ClN2O2
Molecular weight
174.59
Exact mass
174.0196
XLogP
1.32
TPSA
65.98
H-bond donors
2
H-bond acceptors
2
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
39.94

Supplementary Information

InChIKey: WBRFPIVOPOBICF-UHFFFAOYSA-N
مرادفات
1171124-67-64-chloro-5-ethyl-1H-imidazole-2-carboxylic acid5-chloro-4-ethyl-1H-imidazole-2-carboxylic acidSCHEMBL2823071DTXSID70737497WBRFPIVOPOBICF-UHFFFAOYSA-NEN300-8142795-chloro-4-ethyl-1H-imidazole-2-carboxylicacid4-chloro-5-ethyl-1H-imidazole 2-carboxylic acid
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