Home Halogens 2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-hydroxy-

2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-hydroxy-

CAS No.:
25392-41-0
Catalog Number:
AG00I4UL
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
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Product Description
Catalog Number:
AG00I4UL
Chemical Name:
2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-hydroxy-
CAS Number:
25392-41-0
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
MDL Number:
MFCD00467168
IUPAC Name:
4-(chloromethyl)-7-hydroxychromen-2-one
InChI:
InChI=1S/C10H7ClO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChI Key:
TXSLBPGPBNGHRW-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)oc2c1ccc(c2)O
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.613g/mol
Monoisotopic Mass:
210.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
TGF-β of lung cancer microenvironment upregulates B7H1 and GITRL expression in dendritic cells and is associated with regulatory T cell generation. Oncology reports 20120801
Monitoring the systemic human memory B cell compartment of melanoma patients for anti-tumor IgG antibodies. PloS one 20110101
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
alpha-Glucosidase inhibitory antihyperglycemic activity of substituted chromenone derivatives. Bioorganic & medicinal chemistry 20100101
Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships. Journal of medicinal chemistry 20080227
Properties