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17831-88-8

17831-88-8 | 2H-1-Benzopyran-2-one, 4-chloro-

CAS No: 17831-88-8 Catalog No: AG0025XI MDL No:

Product Description

Catalog Number:
AG0025XI
Chemical Name:
2H-1-Benzopyran-2-one, 4-chloro-
CAS Number:
17831-88-8
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
IUPAC Name:
4-chlorochromen-2-one
InChI:
InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
RKEYJFRSDLEQIE-UHFFFAOYSA-N
SMILES:
O=c1cc(Cl)c2c(o1)cccc2
EC Number:
241-790-9
NSC Number:
74867

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.998g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.587g/mol
Monoisotopic Mass:
179.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Inhibition of amyloid-β aggregation by coumarin analogs can be manipulated by functionalization of the aromatic center. Bioorganic & medicinal chemistry 20110415
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Coumarins incorporating hydroxy- and chloro-moieties selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II. Bioorganic & medicinal chemistry letters 20100801

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