| CAS Number | 76143-71-0 |
| Catalog Number | AG00G9FS |
| Chemical Name | 5,7-dichloro-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 5,7-dichloro-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H6Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2 |
| InChI Key | LTWDKHFUIPDBEU-UHFFFAOYSA-N |
| MDL Number | MFCD11518517 |
| Molecular Formula | C9H6Cl2O2 |
| Molecular Weight | 217.0487 |
| SMILES | ClC1=CC2=C(C(CCO2)=O)C(Cl)=C1 |
| Synonyms | 5,7-Dichlorochroman-4-one,
76143-71-0,
5,7-dichloro-3,4-dihydro-2H-1-benzopyran-4-one,
5,7-dichloro-2,3-dihydro-4H-1-Benzopyran-4-one,
ZINC36813834,
AKOS009824289,
MCULE-8498886693,
NE39701,
DB-075068,
FT-0756325,
4H-1-Benzopyran-4-one, 5,7-dichloro-2,3-dihydro-,
Z1675167218,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.045g/mol |
| Monoisotopic Mass | 215.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number