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116115-48-1 | 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-
CAS No: 116115-48-1 Catalog No: AG000BO5 MDL No:
Product Description
Catalog Number:
AG000BO5
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-
CAS Number:
116115-48-1
Molecular Formula:
C15H9ClO2
Molecular Weight:
256.6838
IUPAC Name:
2-(2-chlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H9ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H
InChI Key:
BSMFMHNXXKRTHO-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1cc(=O)c2c(o1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.685g/mol
Monoisotopic Mass:
256.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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