Basic information
- CAS
120685-95-2- Standard SMILES
CN1CCc2cc(Cl)c(O)cc2C(c2ccc(I)cc2)C1- InChIKey
SFEBAZSWFKLMDP-UHFFFAOYSA-N- Molecular formula
- C17H17ClINO
- Average molar mass
- 413.7 g/mol
- Monoisotopic mass
- 413.00434
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-chloro-8-hydroxy-1-(4'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
- English name
- 7-chloro-8-hydroxy-1-(4'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- Molecular weight
- 0
Names & synonyms
(125I)Fisch120685-95-27-Chloro-8-hydroxy-1-(4'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineRefChem:1059468-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-olCHEMBL34170SCHEMBL8769365DTXSID00923523BDBM500167947-chloro-8-hydroxy-1-(4/'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine8-Chloro-5-(4-iodo-phenyl)-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol8-chloro-5-(4-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Database identifiers
- CAS
120685-95-2- PubChem CID
- 129244
- DTXSID
DTXSID00923523- ChEMBL
CHEMBL34170
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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