Basic information
- CAS
81787-92-0- Standard SMILES
COC(=O)c1cc2ccccc2n1Cc1ccccc1- InChIKey
XWDTZGYNOCWWKR-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- methyl 1-benzyl-1H-indole-2-carboxylate
- IUPAC
- methyl 1-benzylindole-2-carboxylate
- English name
- methyl 1-benzyl-1H-indole-2-carboxylate
- Molecular formula
- C17H15NO2
- Molecular weight
- 265.31
Names & synonyms
methyl 1-benzyl-1H-indole-2-carboxylate81787-92-0DTXSID20358479RefChem:353314DTXCID90309534methyl 1-benzylindole-2-carboxylateMethyl1-benzyl-1H-indole-2-carboxylateSCHEMBL7884326MFCD01926657CCG-356386BS-25930DB-334735
Show more names
1H-Indole-2-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CS-0205317AG-777/36178011
Database identifiers
- CAS
81787-92-0- PubChem CID
- 899781
- DTXSID
DTXSID20358479- Nikkaji
- J852.697D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers2 total
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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