| CAS Number | 76301-90-1 |
| Catalog Number | AG00GA92(AGN-PC-00OH0T) |
| Chemical Name | 6-Chloro-8-methyl-3,4-dihydro-2h-1-benzopyran-4-one |
| IUPAC Name | 6-chloro-8-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H9ClO2/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5H,2-3H2,1H3 |
| InChI Key | WCTQTQFZRIHBON-UHFFFAOYSA-N |
| MDL Number | MFCD11207527 |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.6303 |
| SMILES | CC1=C2C(=CC(=C1)Cl)C(=O)CCO2 |
| Synonyms | 6-chloro-8-methyl-3,4-dihydro-2H-1-benzopyran-4-one,
76301-90-1,
6-chloro-8-methylchroman-4-one,
AC1Q2GQN,
SCHEMBL6582453,
SCHEMBL11168124,
WCTQTQFZRIHBON-UHFFFAOYSA-N,
MFCD11207527,
ZINC34195882,
AKOS009328486,
NE41901,
EN300-62673,
4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-8-methyl-,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number