Basic information
- CAS
214263-02-2- Standard SMILES
O=C(O)C1(c2ccc(F)cc2Cl)CCCCC1- InChIKey
LASDSPQVVMYXNX-UHFFFAOYSA-N- Molecular formula
- C13H14ClFO2
- Average molar mass
- 256.7 g/mol
- Monoisotopic mass
- 256.0666355
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid
- IUPAC
- 1-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxylic acid
- English name
- 1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID
- Molecular formula
- C13H14ClFO2
- Molecular weight
- 256.7
Names & synonyms
214263-02-21-(2-chloro-4-fluorophenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxylic acidSCHEMBL986965DTXSID80361464LASDSPQVVMYXNX-UHFFFAOYSA-NMFCD00800629SBB003104AKOS007930223AC-10048ST059615DB-110823
Show more names
TIMTEC-BB SBB003104RARECHEM AL BO 1208CYCLOHEXANECARBOXYLIC ACID, 1-(2-CHLORO-4-FLUOROPHENYL)-1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid,98%1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID 98%
(2-chloro-4-fluorophenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclohexanecarboxylicacid1-(2-chloro-4-fluoro-phenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclo hexanecarboxylic acid
Database identifiers
- CAS
214263-02-2- PubChem CID
- 1268166
- DTXSID
DTXSID80361464
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.1996 · 1.1996 (estimate)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 29163900 · 29163900
Safety & regulation
Safety data
- hs_code
- 29163900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemistry & industry
Suppliers5 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]
上海安米克化学品有限公司微信 17321281695 18019252918 · [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
15 records
Compound notes
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