Basic information
- CAS
214262-94-9- Standard SMILES
N#CC1(c2c(F)cccc2Cl)CCCC1- InChIKey
KIROJLODCPJLTM-UHFFFAOYSA-N- Molecular formula
- C12H11ClFN
- Average molar mass
- 223.67 g/mol
- Monoisotopic mass
- 223.0564052
Names & identifiers
- Preferred name
- 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
- IUPAC
- 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile
- English name
- 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
- Molecular formula
- C12H11ClFN
- Molecular weight
- 223.67
Names & synonyms
214262-94-91-(2-CHLORO-6-FLUOROPHENYL)CYCLOPENTANECARBONITRILE1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrileMFCD00800620Cyclopentanecarbonitrile, 1-(2-chloro-6-fluorophenyl)-1-(6-chloro-2-fluorophenyl)cyclopentanecarbonitrileSCHEMBL1020364DTXSID00352935AC5574SBB017021AKOS009264250SY225883
Show more names
CS-0336445ST503068761-(2-chloro-6-fluoro-phenyl)cyclopentanecarbonitrile1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile,98%
Database identifiers
- CAS
214262-94-9- PubChem CID
- 736129
- DTXSID
DTXSID00352935
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Density
- 1.202 · 1.2020 (estimate)
- form
- Liquid
- color
- Clear light brown
- HS Code
- 29269095 · 29269095
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
- 29269095
Chemistry & industry
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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