China (Mainland)
Tetrachloro[2.2]paracyclophane CAS NO.30501-29-2
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- Product Details
Keywords
- 30501-29-2
Quick Details
- ProName: Tetrachloro[2.2]paracyclophane
- CasNo: 30501-29-2
- Molecular Formula: C16H12Cl4
- Appearance: White to off white crystalline powder
- Application: Bio-Research
- PackAge: 25kg/drum
- Port: shanghai
- ProductionCapacity: /Day
- Purity: 98%
- Storage: storage in 0 °C
- Transportation: transport as the regulation of chemica...
- LimitNum: 0 Metric Ton
Superiority
1. Properties ofTetrachloro[2.2]paracyclophane
Molecular Weight 346.07848 [g/mol]
Molecular Formula C16H12Cl4
X
Details
1. Properties of Tetrachloro[2.2]paracyclophane
Molecular Weight 346.07848 [g/mol]
Molecular Formula C16H12Cl4
XLogP3-AA 5.9
Exact Mass 345.966361
MonoIsotopic Mass 343.969311
Heavy Atom Count 20
Complexity 335
Undefined Atom Stereocenter Count 1
Covalently-Bonded Unit Count 1
Feature 3D Ring Count 2
Effective Rotor Count 0.8
Conformer Sampling RMSD 0.6
CID Conformer Count 3
2. Structure descriptors of Tetrachloro[2.2]paracyclophane
InChI: InChI=1S/C16H12Cl4/c17-14-9-11-2-1-10-3-6-12(7-4-10)16(19,
20)15(18)13(14)8-5-11/h3-9,15H,1-2H2
InChIKey: OWNZDHRPHRXFMW-UHFFFAOYSA-N
Canonical SMILES : C1CC2=CC(=C(C=C2)C(C(C3=CC=C1C=C3)(Cl)Cl)Cl)Cl
