- Product Details
Keywords
- 1H-Inden-1-ol,1-(4-nitrobenzoate)
- 53820-86-3
- 98%
Quick Details
- ProName: 1H-Inden-1-ol,1-(4-nitrobenzoate) 538...
- CasNo: 53820-86-3
- Molecular Formula: C16H11 N O4
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
Identification and Related Records
【Name】
1H-Inden-1-ol,1-(4-nitrobenzoate)
【Iupac name】
1H-inden-1-yl 4-nitrobenzoate
【CAS Registry number】
53820-86-3
【Synonyms】
1H-Inden-1-ol,4-nitrobenzoate (9CI)
NSC 245865
【Molecular Formula】
C16H11 N O4 (Products with the same molecular formula)
【Molecular Weight】
281.2628
【Inchi】
InChI=1/C16H11NO4/c18-16(12-5-8-13(9-6-12)17(19)20)21-15-10-7-11-3-1-2-4-14(11)15/h1-10,15H
【Canonical SMILES】
C1=CC=C2C(C=CC2=C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.36g/cm3
【Boiling Point】
477.1°Cat760mmHg
【Refractive Index】
1.658
【Flash Point】
216.1°C
【Computed Properties】
Molecular Weight:281.26284 [g/mol]
Molecular Formula:C16H11NO4
XLogP3-AA:3.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:281.068808
MonoIsotopic Mass:281.068808
Topological Polar Surface Area:72.1
Heavy Atom Count:21
Formal Charge:0
Complexity:434
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:24