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88039-96-7 | 2H-1-Benzopyran-2-one, 6-chloro-3-phenyl-
CAS No: 88039-96-7 Catalog No: AG004MOH MDL No:
Product Description
Catalog Number:
AG004MOH
Chemical Name:
2H-1-Benzopyran-2-one, 6-chloro-3-phenyl-
CAS Number:
88039-96-7
Molecular Formula:
C15H9ClO2
Molecular Weight:
256.6838
IUPAC Name:
6-chloro-3-phenylchromen-2-one
InChI:
InChI=1S/C15H9ClO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChI Key:
HFOGNAFSEDQAPA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(c(=O)o2)c1ccccc1
Properties
Complexity:
358
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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