Basic information
- CAS
1152311-77-7- Standard SMILES
CC(C)(C(=O)OCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1- InChIKey
SAZKCMIGEUQNTR-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O4
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.11723519
Names & identifiers
- Preferred name
- Benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate
- IUPAC
- benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate
- English name
- 1H-Indole-2-acetic acid, 6-fluoro-alpha,alpha-diMethyl-5-nitro-, phenylMethyl ester
- Molecular formula
- C19H17FN2O4
- Molecular weight
- 356.35
Names & synonyms
Benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate1152311-77-7DTXSID30731052RefChem:328414DTXCID40681796SCHEMBL1466358SCHEMBL29551180SAZKCMIGEUQNTR-UHFFFAOYSA-NDB-129712G86639Benzyl2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate1H-Indole-2-acetic acid, 6-fluoro-α,α-dimethyl-5-nitro-, phenylmethyl ester
Show more names
1H-Indole-2-acetic acid, 6-fluoro-alpha,alpha-diMethyl-5-nitro-, phenylMethyl ester
Database identifiers
- CAS
1152311-77-7- PubChem CID
- 59129199
- DTXSID
DTXSID30731052
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
诚达药业股份有限公司0573-84601188-809 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
13 records
Compound notes
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