Basic information
- CAS
51787-87-2- Standard SMILES
OC(CCCCl)c1ccc(F)cc1- InChIKey
YTEUQGXRCFYPSA-UHFFFAOYSA-N- Molecular formula
- C10H12ClFO
- Average molar mass
- 202.65 g/mol
- Monoisotopic mass
- 202.0560709
Names & identifiers
- Preferred name
- alpha-(3-Chloropropyl)-4-fluorobenzenemethanol
- IUPAC
- 4-chloro-1-(4-fluorophenyl)butan-1-ol
- English name
- alpha-(3-chloropropyl)-4-fluorobenzyl alcohol
- Molecular formula
- C10H12ClFO
- Molecular weight
- 202.65
Names & synonyms
4-chloro-1-(4-fluorophenyl)butan-1-ol51787-87-2alpha-(3-Chloropropyl)-4-fluorobenzyl alcoholSA8NX86H4TDTXSID80966110RefChem:1076423alpha-(3-Chloropropyl)-4-fluorobenzenemethanolDTXCID701393760257-420-44-chloro-1-(4-fluorophenyl)butanolEINECS 257-420-4Benzenemethanol, alpha-(3-chloropropyl)-4-fluoro-
Show more names
α-(3-Chloropropyl)-4-fluorobenzenemethanolBenzenemethanol, α-(3-chloropropyl)-4-fluoro-
SCHEMBL6577383YTEUQGXRCFYPSA-UHFFFAOYSA-N4-Chloro-(4-fluorophenyl)-1-butanolAKOS005216486AKOS0175477491-(4-Fluorophenyl)-4-chloro-1-butanol4-Chloro-1-(p-fluorophenyl)-1-butanolDB-307587
Database identifiers
- CAS
51787-87-2- PubChem CID
- 103540
- DTXSID
DTXSID80966110- UNII
- SA8NX86H4T
- EC Number
- 257-420-4
- Nikkaji
- J294.912A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers7 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
1 records
Compound notes
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