Methyl 4-amino-2-fluoro-3-methylbenzoate
Basic information
- CAS
1206680-26-3- Standard SMILES
COC(=O)c1ccc(N)c(C)c1F- InChIKey
ZUJJTDMBGBYZPD-UHFFFAOYSA-N- Molecular formula
- C9H10FNO2
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06955672
Names & identifiers
- Preferred name
- Methyl 4-amino-2-fluoro-3-methylbenzoate
- IUPAC
- methyl 4-amino-2-fluoro-3-methylbenzoate
- English name
- Benzoic acid, 4-aMino-2-fluoro-3-Methyl-, Methyl ester
- Molecular formula
- C9H10FNO2
- Molecular weight
- 183.18
Names & synonyms
methyl 4-amino-2-fluoro-3-methylbenzoate1206680-26-3Benzoic acid, 4-aMino-2-fluoro-3-Methyl-, Methyl esterMFCD131842884-Amino-2-fluoro-3-methyl-benzoic acid methyl ester4-amino-2-fluoro-3-methylbenzoic acid methyl estermethyl4-amino-2-fluoro-3-methylbenzoateSCHEMBL16077594DTXSID00659476AKOS015916860SB31722AS-69632
Show more names
DB-297998methyl 4-amino-2-fluoro-3-methyl-benzoateCS-0098634EN300-174648W18688F611730Z1255420935
Database identifiers
- CAS
1206680-26-3- PubChem CID
- 44558845
- DTXSID
DTXSID00659476
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- color
- Light brown to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- HS Code
- 2922498590 · 2922498590
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
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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