COC(=O)C1=CC2=C(C(=C1)I)N=CN2
CAS: 1258940-58-7
Название: methyl 7-iodo-3H-benzimidazole-5-carboxylate
SMILES: COC(=O)C1=CC2=C(C(=C1)I)N=CN2

Molecular Processing

Molecular formula
C9H7IN2O2
Molecular weight
302.07
Exact mass
301.9552
XLogP
1.95
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
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
60.15

Supplementary Information

InChIKey: IPKCAFFRDJRANQ-UHFFFAOYSA-N
Синонимы
1258940-58-71H-Benzimidazole-5-carboxylic acid, 7-iodo-, methyl esterMethyl 4-iodo-1H-benzo[d]imidazole-6-carboxylateSCHEMBL2720949IPKCAFFRDJRANQ-UHFFFAOYSA-NDTXSID101198352Methyl 7-iodo-1H-benzimidazole-5-carboxylate7-Iodo-3H-benzoimidazole-5-carboxylic acid methyl ester
Источник →
Участвует в 4 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→