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15944-34-0

15944-34-0 | 1,8-Naphthyridin-2(1H)-one, 7-chloro-

CAS No: 15944-34-0 Catalog No: AG001QPT MDL No:MFCD17019401

Product Description

Catalog Number:
AG001QPT
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 7-chloro-
CAS Number:
15944-34-0
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD17019401
IUPAC Name:
7-chloro-1H-1,8-naphthyridin-2-one
InChI:
InChI=1S/C8H5ClN2O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H,10,11,12)
InChI Key:
VOFMYNBQUTUEOS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)[nH]c(=O)cc2

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Hydrogen bonding versus stacking stabilization by modified nucleobases incorporated in PNA.DNA duplexes. Biophysical chemistry 20090401

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