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4'-Nitro-2,2':6',2''-terpyridine

CAT: 0127-OR1060238-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060238-01Size:100 mg
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CAS Number
213674-46-5
Purity
98%
Smiles
O=[N+](C1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1)[O-]

Chemical Information

4'-Nitro-2,2':6',2''-terpyridine
CAS Number213674-46-5
PubChem CID15455605
IUPAC Name4-nitro-2,6-dipyridin-2-ylpyridine
Molecular FormulaC15H10N4O2
Molecular Weight278.26
XLogP2.2
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity334
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N4O2/c20-19(21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H
InChIKey
CJCGAVXNUKYGHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Nitro-2,2':6',2''-terpyridine
CAS: 213674-46-5
CID: 15455605
Formula: C15H10N4O2
MW: 278.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.26
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass278.08037557
Monoisotopic Mass278.08037557
Topological Polar Surface Area84.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity334
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

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Alternative Products

CatalogName
279588-014'-Hydroxy-2,2':6',2''-terpyridine
JH1526254'-Bromo-2,2':6',2''-terpyridine
FI157088-014'-Iodo-2,2':6',2''-terpyridine
FT171190-01[2,2':6',2''- Terpyridine]-4'-methanol
FA30901-014'-Amino-2,2':6',2''-terpyridine
sc-2268614'-Chloro-2,2':6',2''-terpyridine
T2670-012,2:6,2-Terpyridine
GTR19254763-012,2':6',2''-Terpyridine
259940-014-Amino-2,2':6',2''-terpyridine
sc-2522244'- (4-Methylphenyl) -2,2':6',2''-terpyridine

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