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918306-97-5

918306-97-5 | 4H-1-Benzopyran-4-one, 6-(5-chloro-2-hydroxybenzoyl)-

CAS No: 918306-97-5 Catalog No: AG006GGA MDL No:

Product Description

Catalog Number:
AG006GGA
Chemical Name:
4H-1-Benzopyran-4-one, 6-(5-chloro-2-hydroxybenzoyl)-
CAS Number:
918306-97-5
Molecular Formula:
C16H9ClO4
Molecular Weight:
300.6933
IUPAC Name:
6-(5-chloro-2-hydroxybenzoyl)chromen-4-one
InChI:
InChI=1S/C16H9ClO4/c17-10-2-3-13(18)12(8-10)16(20)9-1-4-15-11(7-9)14(19)5-6-21-15/h1-8,18H
InChI Key:
GLGXIJRMGFFEQE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)c1ccc2c(c1)c(=O)cco2)O

Properties

Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.019g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.694g/mol
Monoisotopic Mass:
300.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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