| CAS Number | 637751-75-8 |
| Catalog Number | AG00EC4M(AGN-PC-0WB3R8) |
| Chemical Name | 4-(chloromethyl)-6-ethyl-2H-chromen-2-one |
| IUPAC Name | 4-(chloromethyl)-6-ethylchromen-2-one |
| InChI | InChI=1S/C12H11ClO2/c1-2-8-3-4-11-10(5-8)9(7-13)6-12(14)15-11/h3-6H,2,7H2,1H3 |
| InChI Key | PVZSYMGPRXJWAB-UHFFFAOYSA-N |
| MDL Number | MFCD04183932 |
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.6675 |
| SMILES | C1(CCl)=CC(=O)OC2=CC=C(CC)C=C12 |
| Synonyms | 4-(chloromethyl)-6-ethyl-2H-chromen-2-one,
637751-75-8,
4-(chloromethyl)-6-ethylchromen-2-one,
AKOS BBS-00001315,
AC1LJ554,
CTK5B9852,
DTXSID60359142,
ZINC542306,
ZX-CM005248,
MFCD04183932,
SBB038981,
STK923043,
AKOS000267000,
MCULE-9850967283,
AJ-23411,
ST50071847,
Y-1259,
F3055-0308,
CID944423,
ZINC00542306,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.668g/mol |
| Monoisotopic Mass | 222.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number