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127956-55-2 | 4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)methyl]-
CAS No: 127956-55-2 Catalog No: AG000XKZ MDL No:
Product Description
Catalog Number:
AG000XKZ
Chemical Name:
4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)methyl]-
CAS Number:
127956-55-2
Molecular Formula:
C16H11ClO2
Molecular Weight:
270.7103
IUPAC Name:
3-[(4-chlorophenyl)methyl]chromen-4-one
InChI:
InChI=1S/C16H11ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,10H,9H2
InChI Key:
FMUHBSUGWDSJFZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cc1coc2c(c1=O)cccc2
NSC Number:
609803
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.712g/mol
Monoisotopic Mass:
270.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Homoisoflavonoids: natural scaffolds with potent and selective monoamine oxidase-B inhibition properties. | Journal of medicinal chemistry 20110414 |
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