Basic information
- CAS
223557-21-9- Standard SMILES
O=C(NC1CCCC1)c1ccc(Br)cc1- InChIKey
IPHFDTAHDKYHRW-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO
- Average molar mass
- 268.15 g/mol
- Monoisotopic mass
- 267.02588
Names & identifiers
- Preferred name
- 4-bromo-N-cyclopentylbenzamide
- IUPAC
- 4-bromo-N-cyclopentylbenzamide
- English name
- 4-Bromo-N-cyclopentylbenzamide
- Molecular formula
- C12H14BrNO
- Molecular weight
- 268.15
Names & synonyms
4-bromo-N-cyclopentylbenzamide223557-21-9N-Cyclopentyl 4-bromobenzamideMFCD005889984-Bromo-N-cyclopentyl-benzamideSCHEMBL4770266DTXSID803513654-Bromo-N-cyclopentylbenzamide-d4STK086480AKOS000178235(4-bromophenyl)-N-cyclopentylcarboxamideNCGC00325728-01
Show more names
Benzamide, 4-bromo-N-cyclopentyl-
BS-23747ST024264CS-0207205AB01322395-02AE-848/36304031SR-01000318223SR-01000318223-12990899-42-6
Database identifiers
- CAS
223557-21-9- PubChem CID
- 698458
- DTXSID
DTXSID80351365
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 398 · 398.0±25.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.21 · 14.21±0.20(Predicted)
- Hazard Codes
- Xi
- HS Code
- 2924297099 · 2924297099
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
- 2924297099
- hazard_code
- Xi
Chemistry & industry
Suppliers19 total
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
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
Loading…