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2110-28-3

2110-28-3 | 4H-1-Benzopyran-4-one, 6-chloro-2-(4-pyridinyl)-

CAS No: 2110-28-3 Catalog No: AG002L4F MDL No:

Product Description

Catalog Number:
AG002L4F
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2-(4-pyridinyl)-
CAS Number:
2110-28-3
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
IUPAC Name:
6-chloro-2-pyridin-4-ylchromen-4-one
InChI:
InChI=1S/C14H8ClNO2/c15-10-1-2-13-11(7-10)12(17)8-14(18-13)9-3-5-16-6-4-9/h1-8H
InChI Key:
BJQTYAFKEOZQJE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)cc(o2)c1ccncc1

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.024g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.673g/mol
Monoisotopic Mass:
257.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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