Basic information
- CAS
20637-05-2- Standard SMILES
COC(=O)CCCc1ccc(F)cc1- InChIKey
OZOJNBOWCVAQPW-UHFFFAOYSA-N- Molecular formula
- C11H13FO2
- Average molar mass
- 196.22 g/mol
- Monoisotopic mass
- 196.08995782
Names & identifiers
- Preferred name
- Methyl 4-(4-fluorophenyl)butanoate
- IUPAC
- methyl 4-(4-fluorophenyl)butanoate
- English name
- 4-(p-Fluorophenyl)butyric acid methyl ester
- Molecular formula
- C11H13FO2
- Molecular weight
- 196.22
Names & synonyms
Methyl 4-(4-fluorophenyl)butanoate20637-05-24-(4-Fluorophenyl)butanoic acid methyl esterMethyl 4-fluorobenzenebutanoateButyric acid, 4-(p-fluorophenyl)-, methyl esterMFCD09835994SCHEMBL6076198DTXSID60174670LH0081AKOS000349058SY577442DB-351984
Show more names
4-(p-Fluorophenyl)butyric acid methyl esterBenzenebutanoic acid, 4-fluoro-, Methyl ester
D84523
Database identifiers
- CAS
20637-05-2- PubChem CID
- 140723
- DTXSID
DTXSID60174670- Nikkaji
- J102.159A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
11 records
Compound notes
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