Basic information
- CAS
258273-30-2- Standard SMILES
CC(C)Oc1ccc(C(=O)O)cc1F- InChIKey
AFUBNDBLNISVBB-UHFFFAOYSA-N- Molecular formula
- C10H11FO3
- Average molar mass
- 198.19 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4-isopropoxybenzoic acid
- IUPAC
- 3-fluoro-4-propan-2-yloxybenzoic acid
- English name
- 3-Fluoro-4-isopropoxybenzoic acid
- Molecular formula
- C10H11FO3
- Molecular weight
- 198.19
Names & synonyms
3-Fluoro-4-isopropoxybenzoic acid258273-30-23-Fluoro-4-(1-methylethoxy)benzoic acidMFCD111566033-fluoro-4-propan-2-yloxybenzoic acid3-fluoro-4-isopropoxy-benzoic acid4-isopropoxy-3-fluorobenzoic acidBenzoic acid, 3-fluoro-4-(1-methylethoxy)-SCHEMBL10917553-Fluoro-4-isopropoxybenzoicacidAFUBNDBLNISVBB-UHFFFAOYSA-NAC5747
Show more names
EOS-62168AKOS000264166SY235550DB-123495F803736
Database identifiers
- CAS
258273-30-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 304.5 · 304.5±22.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.31 · 4.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers27 total
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海太氟医药科技有限公司021-58111238 18930958102
上海马氏化学科技有限公司19916721580 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
四川斯多客医药科技有限公司18111675298 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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