| CAS Number | 332030-55-4 |
| Catalog Number | AG00C88L(AGN-PC-0WB4C4) |
| Chemical Name | 6-Chloro-3-(4-iodophenyl)-2H-chromen-2-one |
| IUPAC Name | 6-chloro-3-(4-iodophenyl)chromen-2-one |
| InChI | InChI=1S/C15H8ClIO2/c16-11-3-6-14-10(7-11)8-13(15(18)19-14)9-1-4-12(17)5-2-9/h1-8H |
| InChI Key | HKQOLVGIKAIJLC-UHFFFAOYSA-N |
| MDL Number | MFCD01179325 |
| Molecular Formula | C15H8ClIO2 |
| Molecular Weight | 382.5803 |
| SMILES | C1(C2C=CC(=CC=2)I)=CC2C=C(Cl)C=CC=2OC1=O |
| Synonyms | 6-Chloro-3-(4-iodophenyl)-2H-chromen-2-one,
332030-55-4,
6-chloro-3-(4-iodophenyl)chromen-2-one,
6-Chloro-3-(4-iodo-phenyl)-chromen-2-one,
AC1LCMTY,
BAS 00834877,
CTK4H0153,
DTXSID70348244,
HKQOLVGIKAIJLC-UHFFFAOYSA-N,
CHEMBRDG-BB 5660100,
ZINC838876,
ZX-CM016045,
MFCD01179325,
AKOS000674076,
MCULE-9956871936,
AJ-24035,
ST50240989,
W-8095,
6-Chloro-3-(4-iodophenyl)-2H-chromen-2-one #,
CHEMBRDG-BB5660100,
CID633362,
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| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.581g/mol |
| Monoisotopic Mass | 381.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
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