Quinoline,1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydro- CAS NO.5414-45-9 CAS NO.5414-45-9

Min.Order: 1 Gram
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Product Details

Keywords

Quinoline,1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydro-
5414-45-9
98%

Quick Details

ProName: Quinoline,1-[(4-chlorophenyl)methyl]-1...
CasNo: 5414-45-9
Molecular Formula: C16H16 Cl N
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to 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

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Details

【Name】
Quinoline,1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydro-
【CAS Registry number】
5414-45-9
【Synonyms】
Quinoline,1-(p-chlorobenzyl)-1,2,3,4-tetrahydro- (8CI)
NSC 10567
【Molecular Formula】
C16H16 Cl N (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C16H16ClN/c17-15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10H,3,5,11-12H2
【Canonical SMILES】
C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(S3)Br)NC4=CC=C(C=C4)Br
【MOL File】
5414-45-9.mol
Chemical and Physical Properties
【Density】
1.184g/cm3
【Boiling Point】
405.3°Cat760mmHg
【Refractive Index】
1.616
【Flash Point】
198.9°C
【Computed Properties】
Molecular Weight:540.25148 [g/mol]
Molecular Formula:C18H12Br2N4O2S2
XLogP3-AA:5.7
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:5
Tautomer Count:4
Exact Mass:539.874796
MonoIsotopic Mass:537.876842
Topological Polar Surface Area:121
Heavy Atom Count:28
Formal Charge:0
Complexity:628
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:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:4
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:197

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