Basic information
- Name:
1H-Imidazole-4-carboxaldehyde,5-chloro-2-phenyl-
- Superlist Name:
- 5-Chloro-2-phenyl-3H-imidazole-4-carbaldehyde
- CAS No.:
60367-52-4
- Molecular Structure:
- Formula:
- C10H7ClN2O
- Molecular Weight:
- 206.63
- Synonyms:
- 4-Chloro-5-formyl-2-phenyl-1H-imidazole;4-Chloro-5-formyl-2-phenylimidazole;5-Chloro-2-phenyl-3H-imidazole-4-carboxaldehyde;
- Melting Point:
- 172-174 °C
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Specification
The 5-Chloro-2-phenyl-3H-imidazole-4-carbaldehyde is an organic compound with the formula C10H7ClN2O. With the CAS registry number 60367-52-4, the IUPAC name of this chemical is 5-chloro-2-phenyl-1H-imidazole-4-carbaldehyde.
Physical properties about 5-Chloro-2-phenyl-3H-imidazole-4-carbaldehyde are: (1)XLogP3-AA: 2.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 4; (6)Exact Mass: 206.024691; (7)MonoIsotopic Mass: 206.024691; (8)Topological Polar Surface Area: 45.8; (9)Heavy Atom Count: 14; (10)Complexity: 206; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 1; (13)Feature 3D Donor Count: 1; (14)Feature 3D Cation Count: 1; (15)Feature 3D Ring Count: 2; (16)Effective Rotor Count: 2; (17)Conformer Sampling RMSD: 0.6; (18)CID Conformer Count: 3.
You can still convert the following datas into molecular structure:
(1)IUPAC Name: 5-chloro-2-phenyl-1H-imidazole-4-carbaldehyde
(2)Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(N2)Cl)C=O
(3)InChI: InChI=1S/C10H7ClN2O/c11-9-8(6-14)12-10(13-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
(4)InChIKey: CCXUATWKEDQRMP-UHFFFAOYSA-N
