Basic information
- CAS
394222-99-2- Standard SMILES
COC(=O)c1cc2c(F)cc(F)cc2[nH]1- InChIKey
OQBNNAMXCZSCFC-UHFFFAOYSA-N- Molecular formula
- C10H7F2NO2
- Average molar mass
- 211.16 g/mol
Names & identifiers
- Preferred name
- methyl 4,6-difluoro-1H-indole-2-carboxylate
- IUPAC
- methyl 4,6-difluoro-1H-indole-2-carboxylate
- English name
- methyl 4,6-difluoro-1H-indole-2-carboxylate
- Molecular formula
- C10H7F2NO2
- Molecular weight
- 211.16
Names & synonyms
methyl 4,6-difluoro-1H-indole-2-carboxylate394222-99-2methyl 4,6-difluoroindole-2-carboxylateMFCD09042156SCHEMBL4276853SCHEMBL29897794AKOS000123985SB15133SY039538DB-230766methyl4,6-difluoro-1H-indole-2-carboxylateEN300-35641
Show more names
1H-Indole-2-carboxylic acid, 4,6-difluoro-, methyl ester
F351622Z336087984
Database identifiers
- CAS
394222-99-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 331.3 · 331.3±37.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 13.77 · 13.77±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
上海埃玛诺生物科技有限公司17302153218 18068872592 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南通惠创化学品有限公司13776905367; 13776905367 · [email protected]
苏州启航生物科技有限公司18151111370
上海睿升化工科技有限公司+86-021-50935922
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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