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2-Chloro-1,8-naphthyridine

CAT: 0926-QAA93610Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-QAA93610Size:2.5 g
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CAS Number
15936-10-4
MDL Number
MFCD00234390
Smiles
C1=CC2=C (N=C1) N=C (C=C2) Cl
Molecular Formula
C8H5ClN2
Molecular Weight
164.59 g/mol
Controlled
No

Chemical Information

2-Chloro-1,8-naphthyridine
CAS Number15936-10-4
PubChem CID5152838
IUPAC Name2-chloro-1,8-naphthyridine
Molecular FormulaC8H5ClN2
Molecular Weight164.59
XLogP2.4
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC2=C(N=C1)N=C(C=C2)Cl
InChI
InChI=1S/C8H5ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
InChIKey
HTIZLJISEUYGSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1,8-naphthyridine
CAS: 15936-10-4
CID: 5152838
Formula: C8H5ClN2
MW: 164.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.59
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.0141259
Monoisotopic Mass164.0141259
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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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