Basic information
- CAS
597562-19-1- Standard SMILES
COC(=O)c1cc(I)c2cc[nH]c2c1- InChIKey
MOAJPKHWYSXCSH-UHFFFAOYSA-N- Molecular formula
- C10H8INO2
- Average molar mass
- 301.08 g/mol
- Monoisotopic mass
- 300.9599765
Names & identifiers
- Preferred name
- methyl 4-iodo-1H-indole-6-carboxylate
- IUPAC
- methyl 4-iodo-1H-indole-6-carboxylate
- English name
- 4-Iodo-6-indole carboxylic acid methyl ester
- Molecular formula
- C10H8INO2
- Molecular weight
- 301.08
Names & synonyms
methyl 4-iodo-1H-indole-6-carboxylate597562-19-14-Iodo-6-indole carboxylic acid methyl esterSCHEMBL3350847DTXSID40357348MOAJPKHWYSXCSH-UHFFFAOYSA-Nmethyl4-iodo-1H-indole-6-carboxylateMB03047DB-072690CS-0331665AQ-009/421738094-IODOINDOLE-6-CARBOXYLIC ACID METHYL ESTER
Show more names
4-Iodo-6-indole Carbocylic acid methyl ester1H-Indole-6-carboxylic acid, 4-iodo-, Methyl ester
Database identifiers
- CAS
597562-19-1- PubChem CID
- 851585
- DTXSID
DTXSID40357348
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
6 records
Compound notes
Loading…