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6- (4-Chlorophenoxy) quinolin-5-amine

CAT: 0926-HWB63606-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HWB63606-01Size:50 mg
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CAS Number
1157636-06-0
MDL Number
MFCD12719483
Smiles
C1=CC2=C (C=CC (=C2N) OC3=CC=C (C=C3) Cl) N=C1
Molecular Formula
C15H11ClN2O
Molecular Weight
270.71 g/mol
Controlled
No

Chemical Information

6-(4-Chlorophenoxy)quinolin-5-amine
CAS Number1157636-06-0
PubChem CID43809796
IUPAC Name6-(4-chlorophenoxy)quinolin-5-amine
Molecular FormulaC15H11ClN2O
Molecular Weight270.71
XLogP3.7
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity294
SMILES
C1=CC2=C(C=CC(=C2N)OC3=CC=C(C=C3)Cl)N=C1
InChI
InChI=1S/C15H11ClN2O/c16-10-3-5-11(6-4-10)19-14-8-7-13-12(15(14)17)2-1-9-18-13/h1-9H,17H2
InChIKey
OZGGZYLWBXHHEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Chlorophenoxy)quinolin-5-amine
CAS: 1157636-06-0
CID: 43809796
Formula: C15H11ClN2O
MW: 270.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.71
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass270.0559907
Monoisotopic Mass270.0559907
Topological Polar Surface Area48.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes