Basic information
- CAS
121809-82-3- Standard SMILES
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O- InChIKey
RETXRBKBFDJBQS-UHFFFAOYSA-N- Molecular formula
- C17H15Cl3N2O4
- Average molar mass
- 417.7 g/mol
- Monoisotopic mass
- 416.00974
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- L 345
- IUPAC
- 2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid
- English name
- L 345
- Molecular formula
- C17H15Cl3N2O4
- Molecular weight
- 417.67
Names & synonyms
121809-82-3L 345L345L-345DTXSID30153371RefChem:151619DTXCID50758622-(4-(3,4,5-Trichlorophenylureido)phenoxy)-2-methylpropionic acid2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid2-Methyl-2-(4-((((3,4,5-trichlorophenyl)amino)carbonyl)amino)phenoxy)propanoic acidCHEMBL76841orb1696730
Show more names
2-methyl-2-[4-[(3Polyether NPE - 1085-trichlorophenyl)carbamoylamino]phenoxy]propanoic acidPropanoic acid, 2-methyl-2-[4-[[[(3,4,5-trichlorophenyl)amino]carbonyl]amino]phenoxy]-
SCHEMBL1305530AKOS0407522962-methyl-2-(4-{[(3,4,5-trichlorophenyl)carbamoyl]amino}phenoxy)propanoic acidT324382-[4-(3,4,5-trichlorophenylureido)-phenoxy]-2-methylpropionic acidPropanoic acid, 2-methyl-2-(4-((((3,4,5-trichlorophenyl)amino)carbonyl)amino)phenoxy)-
Database identifiers
- CAS
121809-82-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Melting point
- 233 · 233-235 °C
- Boiling point
- 479.572 · 479.572±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.299 · 3.299±0.10(predicted)
Chemistry & industry
Suppliers10 total
南通鲁尔化工有限公司18012215199 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
海安县国力化工有限公司0513-88826676 18862703018 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
江苏省海安石油化工厂15190815655 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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