- Product Details
Keywords
- 2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate
- 5436-95-3
- 98%
Quick Details
- ProName: 2-Propanol,1-[4-(1-methylpropyl)phenox...
- CasNo: 5436-95-3
- Molecular Formula: C15H22 O3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 1 Metric Ton/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Kilogram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate
【CAS Registry number】
5436-95-3
【Synonyms】
2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, acetate (9CI)
NSC 21797
【Molecular Formula】
C15H22 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C15H22O3/c1-5-11(2)14-6-8-15(9-7-14)17-10-12(3)18-13(4)16/h6-9,11-12H,5,10H2,1-4H3
【Canonical SMILES】
CN(C)C(=O)CC(CC(=O)N(C)C)(C#N)C1=NC(=CS1)C2=C(C=CC(=C2)F)F
【MOL File】
5436-95-3.mol
Chemical and Physical Properties
【Density】
1.001g/cm3
【Boiling Point】
322.4°Cat760mmHg
【Refractive Index】
1.488
【Flash Point】
132.5°C
【Computed Properties】
Molecular Weight:406.449506 [g/mol]
Molecular Formula:C19H20F2N4O2S
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:6
Exact Mass:406.127503
MonoIsotopic Mass:406.127503
Topological Polar Surface Area:106
Heavy Atom Count:28
Formal Charge:0
Complexity:615
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:1
CID Conformer Count:312