Basic information
- CAS
1346576-37-1- Standard SMILES
CCC(C)n1ccc2c(C(=O)OC)cc(Br)cc21- InChIKey
JRSMPKFKNDUBAK-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO2
- Average molar mass
- 310.19 g/mol
- Monoisotopic mass
- 309.03644
Names & identifiers
- Preferred name
- Methyl 6-bromo-1-(sec-butyl)-1H-indole-4-carboxylate
- IUPAC
- methyl 6-bromo-1-butan-2-ylindole-4-carboxylate
- English name
- 1H-Indole-4-carboxylic acid,6-broMo-1-(1-Methylpropyl)-,Methyl ester
- Molecular formula
- C14H16BrNO2
- Molecular weight
- 310.19
Names & synonyms
1346576-37-1Methyl 6-bromo-1-(sec-butyl)-1H-indole-4-carboxylate1H-Indole-4-carboxylic acid,6-bromo-1-(1-methylpropyl)-,methyl esterMFCD28386916methyl 6-bromo-1-butan-2-ylindole-4-carboxylate1H-Indole-4-carboxylic acid, 6-bromo-1-(1-methylpropyl)-, methyl esterSCHEMBL2590836JRSMPKFKNDUBAK-UHFFFAOYSA-NDTXSID701154861CS-M2397AKOS027336390CS-14716
Show more names
DB-125343F51640methyl 6-bromo-1-sec-butyl-indole-4-carboxylateF529385methyl 6-bromo-1-sec-butyl-1H-indole-4-carboxylateMethyl6-bromo-1-(sec-butyl)-1H-indole-4-carboxylateMethyl 6-bromo-1-(butan-2-yl)-1H-indole-4-carboxylate
Database identifiers
- CAS
1346576-37-1- PubChem CID
- 67466396
- DTXSID
DTXSID701154861
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
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Crystal
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
天津正泽兴科技有限公司199-2257-5710 13116104906 · [email protected]
上海丝帆医药科技有限公司18916696128 · [email protected]
上海美迪西生物医药股份有限公司021-50822001 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
13 records
Compound notes
Loading…