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BT173

CAT: 0127-BUP01206-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01206-01Size:5 mg
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CAS Number
2232180-74-2
Purity
=95%
Smiles
O(C)C1=CC2=C(C=C(C=N2)C3=NC(=NO3)C4=CC=C(Br)C=C4)C=C1

Chemical Information

3-(4-Bromophenyl)-5-(7-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CAS Number2232180-74-2
PubChem CID135207342
IUPAC Name3-(4-bromophenyl)-5-(7-methoxyquinolin-3-yl)-1,2,4-oxadiazole
Molecular FormulaC18H12BrN3O2
Molecular Weight382.2
XLogP4.4
Topological Polar Surface Area61
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity419
SMILES
COC1=CC2=NC=C(C=C2C=C1)C3=NC(=NO3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H12BrN3O2/c1-23-15-7-4-12-8-13(10-20-16(12)9-15)18-21-17(22-24-18)11-2-5-14(19)6-3-11/h2-10H,1H3
InChIKey
IZEKVHBNUXXZFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromophenyl)-5-(7-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CAS: 2232180-74-2
CID: 135207342
Formula: C18H12BrN3O2
MW: 382.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass381.01129
Monoisotopic Mass381.01129
Topological Polar Surface Area61 Ų
Heavy Atom Count24
Formal Charge0
Complexity419
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

Alternative Products

CatalogName
M28979-01BT173

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